 *******************************************************************************
 *   PPPPPPP    HH     HH      AA        SSSSS    EEEEEEEE                     *
 *   PPPPPPPP   HH     HH     AAAA      SSSSSSS   EEEEEEEE        /            *
 *   PP     PP  HH     HH     AAAA      SS   SS   EE             //   0000     *
 *   PP     PP  HH     HH    AA  AA    SS         EE            //  000  000   *
 *   PP     PP  HH     HH    AA  AA    SSS        EE            /   00    00   *
 *   PPPPPPPP   HHHHHHHHH    AA  AA     SSSSS     EEEEEEEE     //   00    00   *
 *   PPPPPPP    HHHHHHHHH   AA    AA      SSSS    EEEEEEEE     /    00    00   *
 *   PP         HH     HH   AA    AA        SSS   EE           /    00    00   *
 *   PP         HH     HH   AAAAAAAA         SS   EE          /     00    00   *
 *   PP         HH     HH  AAAAAAAAAA  SS   SSS   EE         //     00    00   *
 *   PP         HH     HH  AA      AA  SSSSSSS    EEEEEEEE   /       000000    *
 *   PP         HH     HH  AA      AA   SSSSS     EEEEEEEE  //        0000     *
 *******************************************************************************
program start     16:28:55  13/04/2021                                          
 npes =      1 << m_Parallel_get_nproc_from_arg>>
 phase/0 2020.01.01 Revision:  632 -- ORG_Parallel --                    
 @(#)system=linux                                                        
 phaseUnif                                                               
 --- << CPP options defined in the makefile >> --
 Parallization: MPI
 MGS  = TRANSPOSE
 FFT WF  = FFTW3
 FFT CD  = FFTW3
 NO_MGS_DGEMM is not defined
 NO_NONLOCAL_DGEMM is not defined
 NO_NONLOCAL_RMM_DGEMM is not defined
 NO_SUBMAT_DGEMM is not defined
 NO_FORCE_DGEMM is not defined
 NO_MATDIAGON_DGEMM is not defined
 LMM_PREVIOUS is not defined
 ----------------------------------------------
 FFILENAMES = ./file_names.data , newly opened  
 !! mpifiletypes is not read
 F_POT(1) = ./Si_ldapw91_nc_01.pp                                       
 file_existence_nfcntn     =   F file_existence_contfiles =   F
 file_existence_nfcntn_bin =   F file_existence_contfiles =   F
 file_existence_nfzaj      =   F file_existence_contfiles =   F
 file_existence_nfchgt     =   T file_existence_contfiles =   F
 file_existence_nfcntn_bin_paw =   F file_existence_contfiles_when_paw_on =   F
 --- existence check of continue files ---
 F_CNTN           (= ./continue.data ) not existing
 F_CNTN_BIN       (= ./continue_bin.data ) not existing
 F_CNTN_BIN_PAW   (= ./continue_bin_paw.data ) not existing
 F_ZAJ            (= ./zaj.data ) not existing
 F_CHGT           (= ./nfchgt.data ) existing
 contfiles        (= continue files ) not existing
 contfiles paw on (= continue files when paw on ) not existing
 3contfiles       (= 3continue files ) not existing
 -----------------------------------------
 F_INP      = ./nfinput.data , newly opened  
 F_ENERG    = ./nfenergy.data , newly opened  
 !*--- input-file style = NEW
 !!  F_INP = ./nfinput.data                  

 !** contents of the input parameter file : ./nfinput.data
Control{
	condition = fixed_charge
	cpumax = 3600 sec ! maximum cpu time
}

accuracy{
	cutoff_wf =   9.00  rydberg
	cutoff_cd =  36.00  rydberg
	num_bands = 8
	ksampling{
                method = mesh
		mesh{  nx = 4, ny =  4, nz =  4   }
	}
        smearing{
                method = tetrahedral
        }
	xctype = ldapw91
	initial_wavefunctions = matrix_diagon
            matrix_diagon{
               cutoff_wf =  9.00  rydberg
            }
	ek_convergence{
		num_max_iteration = 200
		sw_eval_eig_diff = on
		delta_eigenvalue = 1.e-5 hartree
		succession   = 2
	}
}

structure{
        unit_cell_type = primitive
    unit_cell{
       a_vector =  0.0000000000        5.1300000000        5.1300000000
       b_vector =  5.1300000000        0.0000000000        5.1300000000
       c_vector =  5.1300000000        5.1300000000        0.0000000000
    }
    symmetry{
         crystal_structure = diamond
    }

    atom_list{
         atoms{
         #tag  rx       ry         rz     element
             0.125     0.125     0.125     Si
            -0.125    -0.125    -0.125     Si
        }
    }
    element_list{ #tag element  atomicnumber
                          Si        14
    }
}

postprocessing{
   dos{
      sw_dos = ON
      method = tetrahedral
      deltaE_dos = 1.e-3 eV
      nwd_window_width = 10
   }
}
 !**
 !** driver = general
 !** -- tag_accuracy for PAW_switch --
 !** PAW_switch = OFF
 !** -- tag_accuracy for Hubbard_switch --
 !** condition = fixed_charge                   icond =        2
 !** fixed_charge_k_parallel =    0 :0=ALL_AT_ONCE, 1=ONE_BY_ONE
 !** ekmode =        1
 !** fixed_charge_k_parallel =    1 :0=ALL_AT_ONCE, 1=ONE_BY_ONE
 !** continuation_using_ppdata =     0
 !** precision_WFfile =        4 :    8 =DP,    4 =SP
 !** sw_use_wfred =   0
 !** sw_ekzaj =          0
 !** checkpoint file configuration 
 !** output checkpoint file every    10 strevl steps
 !** store     1 checkpoint(s)
 !** cpumax =             3600.00000000 (sec)
 !** max_iteration =      10000
 !** nfstopcheck =          1
 !** multiple_replica_mode =          0
 !** sw_ekzaj =          0
 !** ipriekzaj =          1
 FFILENAMES = ./file_names.data , already opened
 !! mpifiletypes is not read
 F_POT(1) = ./Si_ldapw91_nc_01.pp                                       
 file_existence_nfcntn     =   F file_existence_contfiles =   F
 file_existence_nfcntn_bin =   F file_existence_contfiles =   F
 file_existence_nfzaj      =   F file_existence_contfiles =   F
 file_existence_nfchgt     =   T file_existence_contfiles =   F
 file_existence_nfcntn_bin_paw =   F file_existence_contfiles_when_paw_on =   F
 --- existence check of continue files ---
 F_CNTN           (= ./continue.data ) not existing
 F_CNTN_BIN       (= ./continue_bin.data ) not existing
 F_CNTN_BIN_PAW   (= ./continue_bin_paw.data ) not existing
 F_ZAJ            (= ./zaj.data ) not existing
 F_CHGT           (= ./nfchgt.data ) existing
 contfiles        (= continue files ) not existing
 contfiles paw on (= continue files when paw on ) not existing
 3contfiles       (= 3continue files ) not existing
 -----------------------------------------
 !** gmax =   3.0000
 !** gmaxp =   6.0000
 !** fftsize_factor_gmaxp =   1.0000
 !** gmaxp_reduced        =   6.0000
 !** gmaxs_given =   3.0000
 !** initial_chg = 
 !** neg (=num_bands+num_extra_bands) =     10
 !** --- parameters for force_convergence --
 !** forccr (=max_force) =       0.10000000D-02
 !** force_error_check_mode = OFF
 !** max_force_edelta_i =       0.10000000D+02
 !## evaluating energy before charge construction is            0
 !** nonlocal potential in real space :   0
 !** sw_phonon =            0
 !** coordinate specification method : DIRECTIN
 !** imag =      0
 !** imag, nspin, af =      0     1     0 <<m_CtrlP_set_nspin_and_af>>
 !** ndim_spinor =            1
 !** inversion_symmetry =      0
 !** symmetry_check_criterion =       0.10000000D-11
 !** symmetry_method =     -2
 !** sw_supercell_symmetry =      1
 !*  tag_crystal is found
 !** il = 2   F
 !** unit_cell_type =      1 [primitive] <<m_CS_rd_n>>
 !** a,b,c,ca,cb,cc =     7.254916    7.254916    7.254916    0.500000    0.500000    0.500000 <<m_CS_rd_n>>
 !** avec =     0.000000    5.130000    5.130000
 !** bvec =     5.130000    0.000000    5.130000
 !** cvec =     5.130000    5.130000    0.000000
 !** ucinptype =      1
 !** univol =     270.011394000000 <<m_CS_rd_n>>
 !** -- sw_band_symmetry_analysis  0
 !** tag_method is found
 !** ldos_method         =      1
 !** sw_dos              = ON 
 !** dos_method          =      2 (Gauss_distrib_func= 1,TETRAHEDRON= 2)
 !** deltaE_dos          =   0.3675D-04
 !** variance_dos_GaussD =   0.1000D-05
 !** dos_smearing_width =   0.1000D-02
 !** nwd_dos_window_width =       10
 !** dos_subroutine      =     5
 *** calc_dos_magmom_contrib is set to default,             0
 !** number of atoms =     2
 !** natm2, natm =      2     2
 !** natm2, natm =      2     2 <<set_atompos_and_etc>>
 !** -- tag_constraint is not found --
 !** -- << set_element_detail >> --
 !** iatomn(     1) =  14.0000
 !** ityp =      1 : iatomn,amion,zeta1,alfa,qex,type =  14.0000  51196.4213  0.0000  0.1500  0.0000   Si  
 ! ------------ Initial Charge/Magnetic Moment (atomtyp) --- 
      id     name       ion        moment 
       1      Si      0.000000    0.000000
 ! ---------------------------------------------
 !** === Atomic coordinates ==
 !**   id  ( coordinates_in_Intrnal_sys  ) (  coordinates_in_Cartsian_system  ) weight    ityp
 !**       (   rx         ry         rz  ) (    rx          ry          rz    )      imdtyp    species
 !**     1   0.125000   0.125000   0.125000      1.2825      1.2825      1.2825  1     0  1   Si  
 !**     2  -0.125000  -0.125000  -0.125000     -1.2825     -1.2825     -1.2825  1     0  1   Si  
 !** i =     1 element_name = Si  
 !** addition frequency :       -1
 !**   ia, ionic_mass 
 !**    1          51196.42133
 !**    2          51196.42133
 FFILENAMES = ./file_names.data , already opened
 !! mpifiletypes is not read
 F_POT(1) = ./Si_ldapw91_nc_01.pp                                       
 file_existence_nfcntn     =   F file_existence_contfiles =   F
 file_existence_nfcntn_bin =   F file_existence_contfiles =   F
 file_existence_nfzaj      =   F file_existence_contfiles =   F
 file_existence_nfchgt     =   T file_existence_contfiles =   F
 file_existence_nfcntn_bin_paw =   F file_existence_contfiles_when_paw_on =   F
 --- existence check of continue files ---
 F_CNTN           (= ./continue.data ) not existing
 F_CNTN_BIN       (= ./continue_bin.data ) not existing
 F_CNTN_BIN_PAW   (= ./continue_bin_paw.data ) not existing
 F_ZAJ            (= ./zaj.data ) not existing
 F_CHGT           (= ./nfchgt.data ) existing
 contfiles        (= continue files ) not existing
 contfiles paw on (= continue files when paw on ) not existing
 3contfiles       (= 3continue files ) not existing
 -----------------------------------------
 !** REMARK: npartition_david was set to :        1
 !** applied wavefunction solver set : davidson -> rmm3
 !** --- id, sol, till_n,  dts, dte, itr, var, prec, cmix, submat ---
 !**      - for_init_str -
 !**   1  57     5  0.200  0.200 100  0  1  1  1
 !**   2   5    -1  0.200  0.200 100  0  1  1  1
 !**      - during_str_relax -
 !**   3  57     5  0.200  0.200 100  0  1  1  1
 !**   4   5    -1  0.200  0.200 100  0  1  1  1
 !** n_Charge_Mixing_way =     1
 !** applied charge-mixing method : pulay
 !** sw_recomposing =     1
 !** spin_density_mixfactor =   1.0000
 !** --- id, method, rmxs, rmxe, itr, var, prec, istr, nbxmix, update ---
 !**        1     5  0.400  0.400  100    0    1    3   15    2
  !** sw_mix_charge_ekindens is turned off
 !** base_reduction_for_GAMMA =   0 (=default value) <<m_Kp_rd_n>>
 !** base_symmetrization_for_GAMMA =   0 (=default value) <<m_Kp_rd_n>>
 !************************************ 
 !** gen_tetramesh_mode is set to            0
 !************************************ 
 !** k_sample_mesh =      4     4     4
 
 <***   PAW one center integral   ***>
 1-th element : Si : sphericalharmonicsexpansion : dnr =  1
 --- check of file_names ---
 F_INP      = ./nfinput.data
 F_POT(1)   = ./Si_ldapw91_nc_01.pp
 F_POT(2)   = ./pot.02
 F_POT(3)   = ./pot.03
 F_KPOINT   = ./kpoint.data
 F_CHGT     = ./nfchgt.data
 F_CNTN     = ./continue.data
 F_CNTN_BIN = ./continue_bin.data
 F_ZAJ      = ./zaj.data
 F_STOP     = ./nfstop.data
 F_ENERG    = ./nfenergy.data
 F_NEB_OUT   = ./output_neb                                                
 F_IMAGE(0)  = ./endpoint0.data                                            
 F_IMAGE(-1) = ./endpoint1.data                                            
 F_CNTN_BIN_PAW = ./continue_bin_paw.data
 ngen =      3
 igen =      5 jgen =     0    1    0    1    0    1
 igen =     19 jgen =     1    4    1    2    3    4
 igen =     25 jgen =     0    1    0    1    0    1
  << rltv, altv >>
 -0.6124  0.6124  0.6124             0.0000  5.1300  5.1300
  0.6124 -0.6124  0.6124             5.1300  0.0000  5.1300
  0.6124  0.6124 -0.6124             5.1300  5.1300  0.0000
 -- m_CS_alloc_op_tau --
 !! nopr, af =    48    0
 -- m_CS_alloc_op_tau_tl --
 !! ngen_tl =     0
 ngen_tl =      0
  --- SC Symmetry Operations (CARTS, PUCV) --- (in m_CS_gnrt_symm_operators_tl)
 !! ngen_tl =      0
=== Lattice parameters ===
a    ,b   ,c     =     10.26000000    10.26000000    10.26000000 Bohr
alpha,beta,gamma =     90.00000000    90.00000000    90.00000000 degree
             Bravais lattice: cF
Crystallographic point group: Oh  m-3m 
                 Space group: Fd-3d     
 -- allocation of napt --
 !! natm =     2 nopr+af =    48
  --- Symmetry Operations (CARTS, PUCV) --- (in m_CS_wd_op_and_tau)
 !! nopr+af =     48
  #symmetry op. =            1 e    
  1.0000  0.0000  0.0000  0.0000     1.0000  0.0000  0.0000  0.0000
  0.0000  1.0000  0.0000  0.0000     0.0000  1.0000  0.0000  0.0000
  0.0000  0.0000  1.0000  0.0000     0.0000  0.0000  1.0000  0.0000
  #symmetry op. =            2 c2x  
  1.0000  0.0000  0.0000  0.0000    -1.0000  0.0000  0.0000  0.5000
  0.0000 -1.0000  0.0000  2.5650    -1.0000  0.0000  1.0000  0.0000
  0.0000  0.0000 -1.0000  2.5650    -1.0000  1.0000  0.0000  0.0000
  #symmetry op. =            3 c2y  
 -1.0000  0.0000  0.0000  2.5650     0.0000 -1.0000  1.0000  0.0000
  0.0000  1.0000  0.0000  0.0000     0.0000 -1.0000  0.0000  0.5000
  0.0000  0.0000 -1.0000  2.5650     1.0000 -1.0000  0.0000  0.0000
  #symmetry op. =            4 c2z  
 -1.0000  0.0000  0.0000  2.5650     0.0000  1.0000 -1.0000  0.0000
  0.0000 -1.0000  0.0000  2.5650     1.0000  0.0000 -1.0000  0.0000
  0.0000  0.0000  1.0000  0.0000     0.0000  0.0000 -1.0000  0.5000
  #symmetry op. =            5 c31+ 
  0.0000  0.0000  1.0000  0.0000     0.0000  0.0000  1.0000  0.0000
  1.0000  0.0000  0.0000  0.0000     1.0000  0.0000  0.0000  0.0000
  0.0000  1.0000  0.0000  0.0000     0.0000  1.0000  0.0000  0.0000
  #symmetry op. =            6 c32+ 
  0.0000  0.0000 -1.0000  2.5650    -1.0000  1.0000  0.0000  0.0000
  1.0000  0.0000  0.0000  0.0000    -1.0000  0.0000  0.0000  0.5000
  0.0000 -1.0000  0.0000  2.5650    -1.0000  0.0000  1.0000  0.0000
  #symmetry op. =            7 c33+ 
  0.0000  0.0000 -1.0000  2.5650     1.0000 -1.0000  0.0000  0.0000
 -1.0000  0.0000  0.0000  2.5650     0.0000 -1.0000  1.0000  0.0000
  0.0000  1.0000  0.0000  0.0000     0.0000 -1.0000  0.0000  0.5000
  #symmetry op. =            8 c34+ 
  0.0000  0.0000  1.0000  0.0000     0.0000  0.0000 -1.0000  0.5000
 -1.0000  0.0000  0.0000  2.5650     0.0000  1.0000 -1.0000  0.0000
  0.0000 -1.0000  0.0000  2.5650     1.0000  0.0000 -1.0000  0.0000
  #symmetry op. =            9 c31- 
  0.0000  1.0000  0.0000  0.0000     0.0000  1.0000  0.0000  0.0000
  0.0000  0.0000  1.0000  0.0000     0.0000  0.0000  1.0000  0.0000
  1.0000  0.0000  0.0000  0.0000     1.0000  0.0000  0.0000  0.0000
  #symmetry op. =           10 c32- 
  0.0000  1.0000  0.0000  0.0000     0.0000 -1.0000  0.0000  0.5000
  0.0000  0.0000 -1.0000  2.5650     1.0000 -1.0000  0.0000  0.0000
 -1.0000  0.0000  0.0000  2.5650     0.0000 -1.0000  1.0000  0.0000
  #symmetry op. =           11 c33- 
  0.0000 -1.0000  0.0000  2.5650     1.0000  0.0000 -1.0000  0.0000
  0.0000  0.0000  1.0000  0.0000     0.0000  0.0000 -1.0000  0.5000
 -1.0000  0.0000  0.0000  2.5650     0.0000  1.0000 -1.0000  0.0000
  #symmetry op. =           12 c34- 
  0.0000 -1.0000  0.0000  2.5650    -1.0000  0.0000  1.0000  0.0000
  0.0000  0.0000 -1.0000  2.5650    -1.0000  1.0000  0.0000  0.0000
  1.0000  0.0000  0.0000  0.0000    -1.0000  0.0000  0.0000  0.5000
  #symmetry op. =           13 c2a  
  0.0000  1.0000  0.0000  2.5650    -1.0000  0.0000  1.0000  0.0000
  1.0000  0.0000  0.0000  2.5650     0.0000 -1.0000  1.0000  0.0000
  0.0000  0.0000 -1.0000  0.0000     0.0000  0.0000  1.0000  0.5000
  #symmetry op. =           14 c2b  
  0.0000 -1.0000  0.0000  0.0000     0.0000 -1.0000  0.0000  0.0000
 -1.0000  0.0000  0.0000  0.0000    -1.0000  0.0000  0.0000  0.0000
  0.0000  0.0000 -1.0000  0.0000     0.0000  0.0000 -1.0000  0.0000
  #symmetry op. =           15 c2c  
  0.0000  0.0000  1.0000  2.5650    -1.0000  1.0000  0.0000  0.0000
  0.0000 -1.0000  0.0000  0.0000     0.0000  1.0000  0.0000  0.5000
  1.0000  0.0000  0.0000  2.5650     0.0000  1.0000 -1.0000  0.0000
  #symmetry op. =           16 c2d  
 -1.0000  0.0000  0.0000  0.0000     1.0000  0.0000  0.0000  0.5000
  0.0000  0.0000  1.0000  2.5650     1.0000 -1.0000  0.0000  0.0000
  0.0000  1.0000  0.0000  2.5650     1.0000  0.0000 -1.0000  0.0000
  #symmetry op. =           17 c2e  
  0.0000  0.0000 -1.0000  0.0000     0.0000  0.0000 -1.0000  0.0000
  0.0000 -1.0000  0.0000  0.0000     0.0000 -1.0000  0.0000  0.0000
 -1.0000  0.0000  0.0000  0.0000    -1.0000  0.0000  0.0000  0.0000
  #symmetry op. =           18 c2f  
 -1.0000  0.0000  0.0000  0.0000    -1.0000  0.0000  0.0000  0.0000
  0.0000  0.0000 -1.0000  0.0000     0.0000  0.0000 -1.0000  0.0000
  0.0000 -1.0000  0.0000  0.0000     0.0000 -1.0000  0.0000  0.0000
  #symmetry op. =           19 c4x+ 
  1.0000  0.0000  0.0000  2.5650     0.0000 -1.0000  1.0000  0.0000
  0.0000  0.0000 -1.0000  0.0000     0.0000  0.0000  1.0000  0.5000
  0.0000  1.0000  0.0000  2.5650    -1.0000  0.0000  1.0000  0.0000
  #symmetry op. =           20 c4y+ 
  0.0000  0.0000  1.0000  2.5650     1.0000 -1.0000  0.0000  0.0000
  0.0000  1.0000  0.0000  2.5650     1.0000  0.0000 -1.0000  0.0000
 -1.0000  0.0000  0.0000  0.0000     1.0000  0.0000  0.0000  0.5000
  #symmetry op. =           21 c4z+ 
  0.0000 -1.0000  0.0000  0.0000     0.0000  1.0000  0.0000  0.5000
  1.0000  0.0000  0.0000  2.5650     0.0000  1.0000 -1.0000  0.0000
  0.0000  0.0000  1.0000  2.5650    -1.0000  1.0000  0.0000  0.0000
  #symmetry op. =           22 c4x- 
  1.0000  0.0000  0.0000  2.5650     0.0000  1.0000 -1.0000  0.0000
  0.0000  0.0000  1.0000  2.5650    -1.0000  1.0000  0.0000  0.0000
  0.0000 -1.0000  0.0000  0.0000     0.0000  1.0000  0.0000  0.5000
  #symmetry op. =           23 c4y- 
  0.0000  0.0000 -1.0000  0.0000     0.0000  0.0000  1.0000  0.5000
  0.0000  1.0000  0.0000  2.5650    -1.0000  0.0000  1.0000  0.0000
  1.0000  0.0000  0.0000  2.5650     0.0000 -1.0000  1.0000  0.0000
  #symmetry op. =           24 c4z- 
  0.0000  1.0000  0.0000  2.5650     1.0000  0.0000 -1.0000  0.0000
 -1.0000  0.0000  0.0000  0.0000     1.0000  0.0000  0.0000  0.5000
  0.0000  0.0000  1.0000  2.5650     1.0000 -1.0000  0.0000  0.0000
  #symmetry op. =           25 ie   
 -1.0000  0.0000  0.0000  0.0000    -1.0000  0.0000  0.0000  0.0000
  0.0000 -1.0000  0.0000  0.0000     0.0000 -1.0000  0.0000  0.0000
  0.0000  0.0000 -1.0000  0.0000     0.0000  0.0000 -1.0000  0.0000
  #symmetry op. =           26 ic2x 
 -1.0000  0.0000  0.0000  0.0000     1.0000  0.0000  0.0000  0.5000
  0.0000  1.0000  0.0000  2.5650     1.0000  0.0000 -1.0000  0.0000
  0.0000  0.0000  1.0000  2.5650     1.0000 -1.0000  0.0000  0.0000
  #symmetry op. =           27 ic2y 
  1.0000  0.0000  0.0000  2.5650     0.0000  1.0000 -1.0000  0.0000
  0.0000 -1.0000  0.0000  0.0000     0.0000  1.0000  0.0000  0.5000
  0.0000  0.0000  1.0000  2.5650    -1.0000  1.0000  0.0000  0.0000
  #symmetry op. =           28 ic2z 
  1.0000  0.0000  0.0000  2.5650     0.0000 -1.0000  1.0000  0.0000
  0.0000  1.0000  0.0000  2.5650    -1.0000  0.0000  1.0000  0.0000
  0.0000  0.0000 -1.0000  0.0000     0.0000  0.0000  1.0000  0.5000
  #symmetry op. =           29 ic31+
  0.0000  0.0000 -1.0000  0.0000     0.0000  0.0000 -1.0000  0.0000
 -1.0000  0.0000  0.0000  0.0000    -1.0000  0.0000  0.0000  0.0000
  0.0000 -1.0000  0.0000  0.0000     0.0000 -1.0000  0.0000  0.0000
  #symmetry op. =           30 ic32+
  0.0000  0.0000  1.0000  2.5650     1.0000 -1.0000  0.0000  0.0000
 -1.0000  0.0000  0.0000  0.0000     1.0000  0.0000  0.0000  0.5000
  0.0000  1.0000  0.0000  2.5650     1.0000  0.0000 -1.0000  0.0000
  #symmetry op. =           31 ic33+
  0.0000  0.0000  1.0000  2.5650    -1.0000  1.0000  0.0000  0.0000
  1.0000  0.0000  0.0000  2.5650     0.0000  1.0000 -1.0000  0.0000
  0.0000 -1.0000  0.0000  0.0000     0.0000  1.0000  0.0000  0.5000
  #symmetry op. =           32 ic34+
  0.0000  0.0000 -1.0000  0.0000     0.0000  0.0000  1.0000  0.5000
  1.0000  0.0000  0.0000  2.5650     0.0000 -1.0000  1.0000  0.0000
  0.0000  1.0000  0.0000  2.5650    -1.0000  0.0000  1.0000  0.0000
  #symmetry op. =           33 ic31-
  0.0000 -1.0000  0.0000  0.0000     0.0000 -1.0000  0.0000  0.0000
  0.0000  0.0000 -1.0000  0.0000     0.0000  0.0000 -1.0000  0.0000
 -1.0000  0.0000  0.0000  0.0000    -1.0000  0.0000  0.0000  0.0000
  #symmetry op. =           34 ic32-
  0.0000 -1.0000  0.0000  0.0000     0.0000  1.0000  0.0000  0.5000
  0.0000  0.0000  1.0000  2.5650    -1.0000  1.0000  0.0000  0.0000
  1.0000  0.0000  0.0000  2.5650     0.0000  1.0000 -1.0000  0.0000
  #symmetry op. =           35 ic33-
  0.0000  1.0000  0.0000  2.5650    -1.0000  0.0000  1.0000  0.0000
  0.0000  0.0000 -1.0000  0.0000     0.0000  0.0000  1.0000  0.5000
  1.0000  0.0000  0.0000  2.5650     0.0000 -1.0000  1.0000  0.0000
  #symmetry op. =           36 ic34-
  0.0000  1.0000  0.0000  2.5650     1.0000  0.0000 -1.0000  0.0000
  0.0000  0.0000  1.0000  2.5650     1.0000 -1.0000  0.0000  0.0000
 -1.0000  0.0000  0.0000  0.0000     1.0000  0.0000  0.0000  0.5000
  #symmetry op. =           37 ic2a 
  0.0000 -1.0000  0.0000  2.5650     1.0000  0.0000 -1.0000  0.0000
 -1.0000  0.0000  0.0000  2.5650     0.0000  1.0000 -1.0000  0.0000
  0.0000  0.0000  1.0000  0.0000     0.0000  0.0000 -1.0000  0.5000
  #symmetry op. =           38 ic2b 
  0.0000  1.0000  0.0000  0.0000     0.0000  1.0000  0.0000  0.0000
  1.0000  0.0000  0.0000  0.0000     1.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  1.0000  0.0000     0.0000  0.0000  1.0000  0.0000
  #symmetry op. =           39 ic2c 
  0.0000  0.0000 -1.0000  2.5650     1.0000 -1.0000  0.0000  0.0000
  0.0000  1.0000  0.0000  0.0000     0.0000 -1.0000  0.0000  0.5000
 -1.0000  0.0000  0.0000  2.5650     0.0000 -1.0000  1.0000  0.0000
  #symmetry op. =           40 ic2d 
  1.0000  0.0000  0.0000  0.0000    -1.0000  0.0000  0.0000  0.5000
  0.0000  0.0000 -1.0000  2.5650    -1.0000  1.0000  0.0000  0.0000
  0.0000 -1.0000  0.0000  2.5650    -1.0000  0.0000  1.0000  0.0000
  #symmetry op. =           41 ic2e 
  0.0000  0.0000  1.0000  0.0000     0.0000  0.0000  1.0000  0.0000
  0.0000  1.0000  0.0000  0.0000     0.0000  1.0000  0.0000  0.0000
  1.0000  0.0000  0.0000  0.0000     1.0000  0.0000  0.0000  0.0000
  #symmetry op. =           42 ic2f 
  1.0000  0.0000  0.0000  0.0000     1.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  1.0000  0.0000     0.0000  0.0000  1.0000  0.0000
  0.0000  1.0000  0.0000  0.0000     0.0000  1.0000  0.0000  0.0000
  #symmetry op. =           43 ic4x+
 -1.0000  0.0000  0.0000  2.5650     0.0000  1.0000 -1.0000  0.0000
  0.0000  0.0000  1.0000  0.0000     0.0000  0.0000 -1.0000  0.5000
  0.0000 -1.0000  0.0000  2.5650     1.0000  0.0000 -1.0000  0.0000
  #symmetry op. =           44 ic4y+
  0.0000  0.0000 -1.0000  2.5650    -1.0000  1.0000  0.0000  0.0000
  0.0000 -1.0000  0.0000  2.5650    -1.0000  0.0000  1.0000  0.0000
  1.0000  0.0000  0.0000  0.0000    -1.0000  0.0000  0.0000  0.5000
  #symmetry op. =           45 ic4z+
  0.0000  1.0000  0.0000  0.0000     0.0000 -1.0000  0.0000  0.5000
 -1.0000  0.0000  0.0000  2.5650     0.0000 -1.0000  1.0000  0.0000
  0.0000  0.0000 -1.0000  2.5650     1.0000 -1.0000  0.0000  0.0000
  #symmetry op. =           46 ic4x-
 -1.0000  0.0000  0.0000  2.5650     0.0000 -1.0000  1.0000  0.0000
  0.0000  0.0000 -1.0000  2.5650     1.0000 -1.0000  0.0000  0.0000
  0.0000  1.0000  0.0000  0.0000     0.0000 -1.0000  0.0000  0.5000
  #symmetry op. =           47 ic4y-
  0.0000  0.0000  1.0000  0.0000     0.0000  0.0000 -1.0000  0.5000
  0.0000 -1.0000  0.0000  2.5650     1.0000  0.0000 -1.0000  0.0000
 -1.0000  0.0000  0.0000  2.5650     0.0000  1.0000 -1.0000  0.0000
  #symmetry op. =           48 ic4z-
  0.0000 -1.0000  0.0000  2.5650    -1.0000  0.0000  1.0000  0.0000
  1.0000  0.0000  0.0000  0.0000    -1.0000  0.0000  0.0000  0.5000
  0.0000  0.0000 -1.0000  2.5650    -1.0000  1.0000  0.0000  0.0000
  -- OK symmetry check of atomic coordinates
 kimg =     2 (m_CtrlP_set_kimg)
  ! Size of rhombohedrons which contain spheres of G_vectors being smaller than 
 gmax and gmaxp
  KNX ,KNY ,KNZ  =      7     7     7
  KNXP,KNYP,KNZP =      7     7     7
  knxp_reduced, knyp_reduced, knzp_reduced =      7     7     7
  --- fft_box_size <<m_FFT_set_box_sizes>> ---
  WF    16   16   16
  CD    16   16   16
 << setkp0_default_n >>
 !! ill =      2
 !! ngen =      3
 !!  igen, jgen =      5     0     1     0     1     0     1
 !!  igen, jgen =     19     1     4     1     2     3     4
 !!  igen, jgen =     25     0     1     0     1     0     1
 !! ill, il =      2     2
 !! ngen =      3 <<- setkp0_default_n
 << trmat >>
  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000
 !kp kv3 =       19 nspin =     1
 ndim_spinor =            1
 nrank_e =   1
 nrank_k =   1
 !** REMARK: npartition_david is reset to :        1
 !pwBS kg0, kg, kgp =        113       941       941
 !pwBS kgp_reduced  =        941
 !pwBS   kg0 = (#G(<=Gmax)), kg = (#G(<=2Gmax)), kgp = (#G(<=Gmaxp))
  !kg  =          941
  !kgp =          941
  !kgp_reduced =          941
 !pwbs  ngshell =       51
  n_rGpv =            7           7           7
  mmdim  =           14          14          14
 !pwBS: g_list size =        14       14       14
 !pwBS: (ngpt_l)s are all decided by using g_list
  ---- (WF)FFT size ----
     (nfft, fft_box_size_WF)
 FFT total elements(including work area) =       8192
 FFT box adjustable dimension            =    16   16   16
 FFT box real dimension                  =    16   16   16
  ---- (CD)FFT size ----
     (nfftps, fft_box_size_CD)
 FFT total elements(including work area) =       8192
 FFT box adjustable dimension            =    16   16   16
 FFT box real dimension                  =    16   16   16
  ---- (CD_c)FFT size ----
     (nfftp, fft_box_size_CD_c)
 FFT total elements(including work area) =       8192
 FFT box adjustable dimension            =    16   16   16
 !(init_fft_coef_WF) nl, nm, nn   =       16      16      16
 !(init_fft_coef_WF) plan_WF(1:2) =            131813632           131843776
 !(CDFFT_setup) nl, nm, nn   =       16      16      16
 !(CDFFT_setup) plan_CD(1:2) =            131845696           131847616
!Kp nxyz_tetra(1:3) =        4       8       8
 
  === k-points generated or read ===
 ik        CARTS                      BUCS                   QITG
     1  0.0000  0.0000  0.0000     0.0000  0.0000  0.0000     0.0039
     2  0.1531  0.0000  0.0000     0.0000  0.1250  0.1250     0.0234
     3  0.3062  0.0000  0.0000     0.0000  0.2500  0.2500     0.0234
     4  0.4593  0.0000  0.0000     0.0000  0.3750  0.3750     0.0234
     5  0.6124  0.0000  0.0000     0.0000  0.5000  0.5000     0.0117
     6  0.1531  0.1531  0.0000     0.1250  0.1250  0.2500     0.0469
     7  0.3062  0.1531  0.0000     0.1250  0.2500  0.3750     0.0938
     8  0.4593  0.1531  0.0000     0.1250  0.3750  0.5000     0.0938
     9  0.6124  0.1531  0.0000     0.1250  0.5000  0.6250     0.0469
    10  0.3062  0.3062  0.0000     0.2500  0.2500  0.5000     0.0469
    11  0.4593  0.3062  0.0000     0.2500  0.3750  0.6250     0.0938
    12  0.6124  0.3062  0.0000     0.2500  0.5000  0.7500     0.0234
    13  0.4593  0.4593  0.0000     0.3750  0.3750  0.7500     0.0469
    14  0.1531  0.1531  0.1531     0.2500  0.2500  0.2500     0.0312
    15  0.3062  0.1531  0.1531     0.2500  0.3750  0.3750     0.0938
    16  0.4593  0.1531  0.1531     0.2500  0.5000  0.5000     0.0938
    17  0.3062  0.3062  0.1531     0.3750  0.3750  0.5000     0.0938
    18  0.4593  0.3062  0.1531     0.3750  0.5000  0.6250     0.0938
    19  0.3062  0.3062  0.3062     0.5000  0.5000  0.5000     0.0156
 F_ENERG    = ./nfenergy.data , newly opened  

 <<< m_pwBS_for_each_WF >>>
 !# ** kg1_ext, kg1, nbmx (=matrix size) =      127     127     200
 !#  JJT(=sum(iba)) =     2311 MEAN GRV =   2.96882389
 !# pwbs kg_gamma =        0
 
 !kp ek_group =       19
 !kp kv3_ek   =       19
 !kp kv3      =        1
 ! iba(     1) =    113,  nbase(   113,     1) =     113
 _INCLUDE_EXX_ is defined
 ===== m_Parallel_init_mpi_atm =====
 npes:            1  = nrank_g :            0
 mype:            0
 ista_atm, iend_atm, np_natm, mp_atm:            1           2           2
           2
 ----- natm Decomposed as... -----
 natm:             2
  i, is_atm, ie_atm, nel_atm
           0           1           2           2
  F_POT(nfpp) = ./Si_ldapw91_nc_01.pp
 !PP CHECKING POTENTIAL FILE    37
 !PP PP type --> GNCPP2 , is_gncpp =  2
 !PP natomn, fval, iloc, itpcc =      14.000000      4.000000  3  0
 !PP ldapw91   : NAME 
 !PP read_ps_xctype: ps_xctype = ldapw91
 !PP     2.160000    0.860000    1.605400   -0.605400  :   ALP,CC
 !PP 1501   96.000000   60.000000  :   nmesh,  xh, rmax
 !PP it =    1 <<sum_of_vlocr>>
 !PP Int_{i=1}^{nmesh} wos(i)vlocr(i)*radr(i)**2 =      -0.27904659D+02
 !PP alp1, alp2, acoef =   2.16000000  0.86000000  1.60540000
 !PP s      =      -0.142491979601
 !PP etot1  =      -0.009606326847
 !PP TOTAL ENERGY CORRECTION FROM PS     =    -0.9606326847D-02
 !** [asms extension] --- orbital index info ---
 !* orbital index is not found in PP for it=           1
 !** num of orbital index. for it =   1  is   0
 !** max_num_orb_index =   0
 !** [asms extension] --- orbital index info ---
 !* orbital index is not found in PP for it=           1
 !** num of orbital index. for it =   1  is   0
  alf =     2.500000 aamin =    15.000000
 ! kg =       941
  newldg =      531
  Ewald sum =       -0.840046478619D+01
 TOTCH (total charge) =        0.800000000000D+01
 !PP modnrm =     0 (SKIP)
 F_CNTN_BIN_in = ./continue_bin.data                      <<m_Files_open_nfcntn_bin>>
 F_CNTN_BIN = ./continue_bin.data , newly opened  
 TOTCH (total charge) =        0.800000000000D+01
 F_CHGT_in  = ./nfchgt.data , newly opened  
* total_charge =       0.80000000D+01 <<m_CD_rd_chgq>>
 F_FERMI    = ./nfefermi.data , newly opened  
 
 ------------------------
 nk_in_the_process =      1 nk in the k_point_group =      1
 nkgroup =      1
 iteration_electronic =      0
 !kp nk, kv3, kv3_ek =      1     1    19
 !kp      1  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
 ! iba(     1) =    113,  nbase(   113,     1) =     113
!! icond, nk_in_the_process, first_kpoint_in_this_job =        2       1       0
 n_sub_names =     9 num_subroutines_statistics =     4
 << cpu time statistics >>
  no  id           subroutine name           time(sec)   count   no(2)
    1    2             m_PP_vanderbilt_type     0.01700       2       1
    2    5              m_NLP_betar_dot_PWs     0.00700       2       2
    3    4                  m_PP_local_part     0.00100       1       3
    4    8               m_XC_cal_potential     0.00100       1       4
 <<Total elapsed CPU Time until now =     0.06100 (sec.)>>
 ---- iteration(total, ionic, electronic) =        1       1       1 ----
 ! nmatsz =      113 nmatsz_min =      113
 ! gmaxs =           3.00000000
 n_rGsv(1:3) =        6       6       6
 nmatsz (m_pwBS_set_gmaxs) =      113
 !pwbs nmatsz2 =      941 <<m_pwBS_GminusGmapfunction>>
 ENERGY EIGEN VALUE SUM. FOR     1 -TH ITER (K=     1:     1) =       1.84467599 <eko_old-eko_new>:(  0.25537D+00  0.22379D+00  0.22379D+00)
 iteration_electronic =      1
 === energy_eigen_values ===
 ik =       1 (   0.000000  0.000000  0.000000 )
     -0.1965911653      0.2338464656      0.2338464656      0.2338464656
      0.3272943977      0.3272943977      0.3272943977      0.3578445639

 << CPU Time Consumption -- TOP   1 Subroutines (    1) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  10          m_ESmat_solve_Hx_eq_eSx     0.00300 75.00       1       1
 Total cputime of (    1 )-th iteration       0.00400 /     0.065 (sec.)
 ---- iteration(total, ionic, electronic) =        2       1       2 ----
  <<< modified_gram_schmidt_norm_conserve >>>
 ! nblocksize_mgs_is_given is false
! NB(=nblocksize_mgs) (mgs_4_each_k_G) =        8
 !ibsize(=nblocksize_betar_w) (m_ES_betar_dot_WFs_4_each_k) =       32
 ia_i, ia_f, msize =        1       2       8
 mype =   0 msizemax, natm_redmax =        8       2
 !ibsize(=nblocksize_vnonlocal_w) (m_ES_Vnonlocal_W) =     1000
 ---- Parameters decided in allocate_matrix of MdDavidson ---
 -- npartition_david, nblock, np_e =        1       1      10 --
 -- ista_e_l, iend_e_l, ielm_e_l --
 (  1)        1       10       10
 ENERGY EIGEN VALUE SUM. FOR     2 -TH ITER (K=     1:     1) =       1.84467599 <eko_old-eko_new>:(  0.42981D-15  0.32752D-15  0.00000D+00)
 !iter =       2 ntcnvg =       1
 << CPU Time Consumption -- TOP   4 Subroutines (    2) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  16             m_ES_WF_in_Rspace(1)     0.00500 83.33      80       1
   2  20                 prepare_Hloc_phi     0.00300 50.00       3       2
   3  17         decide_correction_vector     0.00200 33.33       3       3
   4  15           evolve_WFs_in_subspace     0.00100 16.67       1       4
 Total cputime of (    2 )-th iteration       0.00600 /     0.071 (sec.)
 ---- iteration(total, ionic, electronic) =        3       1       3 ----
 ENERGY EIGEN VALUE SUM. FOR     3 -TH ITER (K=     1:     1) =       1.84467599 <eko_old-eko_new>:(  0.54475D-15  0.31641D-15  0.00000D+00)
 !iter =       3 ntcnvg =       2
 Wave Functions have converged at       3 -th iteration
 === energy_eigen_values ===
 ik =       1 (   0.000000  0.000000  0.000000 )
     -0.1965911653      0.2338464656      0.2338464656      0.2338464656
      0.3272943977      0.3272943977      0.3272943977      0.3578445639

 F_ZAJ_in   = ./zaj.data , newly opened  
 !D Writing WaveFunctions ik =     1
 
 ------------------------
 nk_in_the_process =      2 nk in the k_point_group =      2
 nkgroup =      2
 iteration_electronic =      0
 !kp nk, kv3, kv3_ek =      2     1    19
 !kp      1  0.1531  0.0000  0.0000  0.0000  0.1250  0.1250
 ! iba(     1) =    125,  nbase(   125,     1) =     135
!! icond, nk_in_the_process, first_kpoint_in_this_job =        2       2       0
 << CPU Time Consumption -- TOP   5 Subroutines (    0) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1   5              m_NLP_betar_dot_PWs     0.00300 30.00       1       1
   2  16             m_ES_WF_in_Rspace(1)     0.00300 30.00      80       2
   3  20                 prepare_Hloc_phi     0.00300 30.00       3       3
   4  17         decide_correction_vector     0.00200 20.00       3       4
   5  13                    betar_dot_Psi     0.00100 10.00       5       5
 Total cputime of (    0 )-th iteration       0.01000 /     0.081 (sec.)
 ---- iteration(total, ionic, electronic) =        4       1       1 ----
 ENERGY EIGEN VALUE SUM. FOR     1 -TH ITER (K=     2:     2) =       1.84467599 <eko_old-eko_new>:(  0.00000D+00  0.00000D+00  0.00000D+00)
 !iter =       1 ntcnvg =       1
 iteration_electronic =      1
 === energy_eigen_values ===
 ik =       2 (   0.000000  0.125000  0.125000 )
     -0.1965911653      0.2338464656      0.2338464656      0.2338464656
      0.3272943977      0.3272943977      0.3272943977      0.3578445639

 ---- iteration(total, ionic, electronic) =        5       1       2 ----
 debug(zhpgvx) info=          69
 debug(zhpgvx) ifail
   0   0   0   0   0   0   0   0
   0   0   9  10 *** *** *** ***
 *** *** *** ***  20   0   0   0
   0   0   1   1   0   9   8   5
   6   7   1   4   2   3 *** ***
 debug(zhpgvx) eig
    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
 ** restart Modified Davidson **
 ik=           1  iblock=           1  itot=           3
 -- restart Modified Davidson itera
 w1hw2 for ik =            1
         -0.19002
         -0.00000     0.18576
          0.00000    -0.00000     0.20248
         -0.00000     0.00000     0.00000     0.20248
          0.00000    -0.00000     0.00000     0.00000     0.30746
         -0.00000     0.00000     0.00000    -0.00000     0.00000     0.37017
         -0.00000     0.00000    -0.00000     0.00000     0.00000     0.00000     0.37017
         -0.00000     0.00000    -0.00000     0.00000    -0.00000    -0.00000    -0.00000     0.39461
         -0.00000
          0.00000    -0.00000
         -0.00000    -0.00000    -0.00000
          0.00000    -0.00000    -0.00000     0.00000
         -0.00000    -0.00000     0.00000    -0.00000    -0.00000
         -0.00000     0.00000     0.00000     0.00000    -0.00000    -0.00000
         -0.00000    -0.00000    -0.00000    -0.00000     0.00000     0.00000     0.00000
         -0.00000    -0.00000     0.00000     0.00000     0.00000    -0.00000     0.00000     0.00000
 w1sw2 for ik =            1
          1.00000
          0.00000     1.00000
          0.00000    -0.00000     1.00000
         -0.00000     0.00000     0.00000     1.00000
         -0.00000    -0.00000     0.00000     0.00000     1.00000
         -0.00000    -0.00000    -0.00000     0.00000    -0.00000     1.00000
          0.00000    -0.00000     0.00000     0.00000    -0.00000     0.00000     1.00000
         -0.00000    -0.00000     0.00000     0.00000    -0.00000    -0.00000    -0.00000     1.00000
          0.00000
         -0.00000     0.00000
          0.00000    -0.00000     0.00000
         -0.00000     0.00000    -0.00000     0.00000
         -0.00000    -0.00000    -0.00000    -0.00000     0.00000
          0.00000     0.00000    -0.00000     0.00000     0.00000     0.00000
         -0.00000     0.00000     0.00000     0.00000    -0.00000    -0.00000     0.00000
          0.00000    -0.00000    -0.00000     0.00000     0.00000     0.00000    -0.00000     0.00000
 eko_l for ik =            1
         -0.19002     0.18576     0.20248     0.20248     0.30746     0.37017     0.37017     0.39461
 ENERGY EIGEN VALUE SUM. FOR     2 -TH ITER (K=     2:     2) =       1.84311710 <eko_old-eko_new>:(  0.31218D-01  0.25976D-01  0.10508D+00)
 << CPU Time Consumption -- TOP   5 Subroutines (    2) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  16             m_ES_WF_in_Rspace(1)     0.00300 42.86      80       1
   2  17         decide_correction_vector     0.00200 28.57       3       2
   3  20                 prepare_Hloc_phi     0.00200 28.57       3       3
   4  21          evolve_WFs_in_subspace      0.00200 28.57       3       4
   5  15           evolve_WFs_in_subspace     0.00100 14.29       1       5
 Total cputime of (    2 )-th iteration       0.00700 /     0.089 (sec.)
 ---- iteration(total, ionic, electronic) =        6       1       3 ----
 ENERGY EIGEN VALUE SUM. FOR     3 -TH ITER (K=     2:     2) =       1.84267862 <eko_old-eko_new>:(  0.11139D-03  0.43848D-04  0.31085D-02)
 << CPU Time Consumption -- TOP   4 Subroutines (    3) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  16             m_ES_WF_in_Rspace(1)     0.00300 37.50      80       1
   2  20                 prepare_Hloc_phi     0.00300 37.50       3       2
   3  21          evolve_WFs_in_subspace      0.00300 37.50       3       3
   4  17         decide_correction_vector     0.00100 12.50       3       4
 Total cputime of (    3 )-th iteration       0.00800 /     0.096 (sec.)
 ---- iteration(total, ionic, electronic) =        7       1       4 ----
 ENERGY EIGEN VALUE SUM. FOR     4 -TH ITER (K=     2:     2) =       1.84267861 <eko_old-eko_new>:(  0.25063D-08  0.12903D-08  0.18661D-04)
 !iter =       4 ntcnvg =       1
 ---- iteration(total, ionic, electronic) =        8       1       5 ----
 ENERGY EIGEN VALUE SUM. FOR     5 -TH ITER (K=     2:     2) =       1.84267861 <eko_old-eko_new>:(  0.18418D-11  0.84031D-12  0.00000D+00)
 !iter =       5 ntcnvg =       2
 Wave Functions have converged at       5 -th iteration
 === energy_eigen_values ===
 ik =       2 (   0.000000  0.125000  0.125000 )
     -0.1900175560      0.1857063260      0.2024736148      0.2024736148
      0.3074577236      0.3701612880      0.3701612880      0.3942623088

 nfzaj is opened
 !D Writing WaveFunctions ik =     1
 
 ------------------------
 nk_in_the_process =      3 nk in the k_point_group =      3
 nkgroup =      3
 iteration_electronic =      0
 !kp nk, kv3, kv3_ek =      3     1    19
 !kp      1  0.3062  0.0000  0.0000  0.0000  0.2500  0.2500
 ! iba(     1) =    125,  nbase(   125,     1) =     158
!! icond, nk_in_the_process, first_kpoint_in_this_job =        2       3       0
 << CPU Time Consumption -- TOP   6 Subroutines (    0) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1   5              m_NLP_betar_dot_PWs     0.00300 30.00       1       1
   2  16             m_ES_WF_in_Rspace(1)     0.00300 30.00      80       2
   3  17         decide_correction_vector     0.00200 20.00       3       3
   4  20                 prepare_Hloc_phi     0.00200 20.00       3       4
   5  21          evolve_WFs_in_subspace      0.00200 20.00       3       5
   6  15           evolve_WFs_in_subspace     0.00100 10.00       1       6
 Total cputime of (    0 )-th iteration       0.01000 /     0.114 (sec.)
 ---- iteration(total, ionic, electronic) =        9       1       1 ----
 ENERGY EIGEN VALUE SUM. FOR     1 -TH ITER (K=     3:     3) =       1.84267861 <eko_old-eko_new>:(  0.00000D+00  0.00000D+00  0.00000D+00)
 !iter =       1 ntcnvg =       1
 iteration_electronic =      1
 === energy_eigen_values ===
 ik =       3 (   0.000000  0.250000  0.250000 )
     -0.1900175560      0.1857063260      0.2024736148      0.2024736148
      0.3074577236      0.3701612880      0.3701612880      0.3942623088

 ---- iteration(total, ionic, electronic) =       10       1       2 ----
 ENERGY EIGEN VALUE SUM. FOR     2 -TH ITER (K=     3:     3) =       1.79124068 <eko_old-eko_new>:(  0.45030D-01  0.36846D-01  0.12093D+00)
 << CPU Time Consumption -- TOP   6 Subroutines (    2) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  17         decide_correction_vector     0.00300 37.50       3       1
   2  21          evolve_WFs_in_subspace      0.00300 37.50       3       2
   3  16             m_ES_WF_in_Rspace(1)     0.00200 25.00      80       3
   4  19       m_ES_orthogonal_phi_to_WFs     0.00100 12.50       3       4
   5  20                 prepare_Hloc_phi     0.00100 12.50       3       5
   6  15           evolve_WFs_in_subspace     0.00100 12.50       1       6
 Total cputime of (    2 )-th iteration       0.00800 /     0.122 (sec.)
 ---- iteration(total, ionic, electronic) =       11       1       3 ----
 ENERGY EIGEN VALUE SUM. FOR     3 -TH ITER (K=     3:     3) =       1.79123491 <eko_old-eko_new>:(  0.92109D-06  0.57755D-06  0.46619D-03)
 !iter =       3 ntcnvg =       1
 << CPU Time Consumption -- TOP   4 Subroutines (    3) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  20                 prepare_Hloc_phi     0.00300 42.86       3       1
   2  21          evolve_WFs_in_subspace      0.00300 42.86       3       2
   3  15           evolve_WFs_in_subspace     0.00100 14.29       1       3
   4  16             m_ES_WF_in_Rspace(1)     0.00100 14.29      80       4
 Total cputime of (    3 )-th iteration       0.00700 /     0.129 (sec.)
 ---- iteration(total, ionic, electronic) =       12       1       4 ----
 ENERGY EIGEN VALUE SUM. FOR     4 -TH ITER (K=     3:     3) =       1.79123491 <eko_old-eko_new>:(  0.46634D-09  0.21650D-09  0.60565D-05)
 !iter =       4 ntcnvg =       2
 Wave Functions have converged at       4 -th iteration
 === energy_eigen_values ===
 ik =       3 (   0.000000  0.250000  0.250000 )
     -0.1610549391      0.1077678429      0.1618038069      0.1618038069
      0.2754128474      0.3515338795      0.4469838313      0.4469838313

 nfzaj is opened
 !D Writing WaveFunctions ik =     1
 
 ------------------------
 nk_in_the_process =      4 nk in the k_point_group =      4
 nkgroup =      4
 iteration_electronic =      0
 !kp nk, kv3, kv3_ek =      4     1    19
 !kp      1  0.4593  0.0000  0.0000  0.0000  0.3750  0.3750
 ! iba(     1) =    121,  nbase(   121,     1) =     164
!! icond, nk_in_the_process, first_kpoint_in_this_job =        2       4       0
 << CPU Time Consumption -- TOP   5 Subroutines (    0) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  17         decide_correction_vector     0.00300 30.00       3       1
   2   5              m_NLP_betar_dot_PWs     0.00200 20.00       1       2
   3  20                 prepare_Hloc_phi     0.00200 20.00       3       3
   4  21          evolve_WFs_in_subspace      0.00200 20.00       3       4
   5  16             m_ES_WF_in_Rspace(1)     0.00100 10.00      80       5
 Total cputime of (    0 )-th iteration       0.01000 /     0.140 (sec.)
 ---- iteration(total, ionic, electronic) =       13       1       1 ----
 ENERGY EIGEN VALUE SUM. FOR     1 -TH ITER (K=     4:     4) =       1.79123491 <eko_old-eko_new>:(  0.00000D+00  0.00000D+00  0.00000D+00)
 !iter =       1 ntcnvg =       1
 iteration_electronic =      1
 === energy_eigen_values ===
 ik =       4 (   0.000000  0.375000  0.375000 )
     -0.1610549391      0.1077678429      0.1618038069      0.1618038069
      0.2754128474      0.3515338795      0.4469838313      0.4469838313

 << CPU Time Consumption -- TOP   0 Subroutines (    1) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
 Total cputime of (    1 )-th iteration       0.00100 /     0.140 (sec.)
 ---- iteration(total, ionic, electronic) =       14       1       2 ----
 ENERGY EIGEN VALUE SUM. FOR     2 -TH ITER (K=     4:     4) =       1.80112562 <eko_old-eko_new>:(  0.53878D-01  0.43220D-01  0.12715D+00)
 << CPU Time Consumption -- TOP   5 Subroutines (    2) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  20                 prepare_Hloc_phi     0.00300 42.86       3       1
   2  14                 m_ES_Vnonlocal_W     0.00200 28.57       4       2
   3  17         decide_correction_vector     0.00100 14.29       3       3
   4  16             m_ES_WF_in_Rspace(1)     0.00100 14.29      80       4
   5  21          evolve_WFs_in_subspace      0.00100 14.29       3       5
 Total cputime of (    2 )-th iteration       0.00700 /     0.147 (sec.)
 ---- iteration(total, ionic, electronic) =       15       1       3 ----
 ENERGY EIGEN VALUE SUM. FOR     3 -TH ITER (K=     4:     4) =       1.80087851 <eko_old-eko_new>:(  0.57362D-04  0.24711D-04  0.24431D-02)
 ---- iteration(total, ionic, electronic) =       16       1       4 ----
 ENERGY EIGEN VALUE SUM. FOR     4 -TH ITER (K=     4:     4) =       1.80087674 <eko_old-eko_new>:(  0.42672D-06  0.17617D-06  0.18938D-03)
 !iter =       4 ntcnvg =       1
 << CPU Time Consumption -- TOP   5 Subroutines (    4) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  16             m_ES_WF_in_Rspace(1)     0.00300 37.50      80       1
   2  17         decide_correction_vector     0.00300 37.50       3       2
   3  21          evolve_WFs_in_subspace      0.00300 37.50       3       3
   4  20                 prepare_Hloc_phi     0.00100 12.50       3       4
   5  13                    betar_dot_Psi     0.00100 12.50       5       5
 Total cputime of (    4 )-th iteration       0.00800 /     0.162 (sec.)
 ---- iteration(total, ionic, electronic) =       17       1       5 ----
 ENERGY EIGEN VALUE SUM. FOR     5 -TH ITER (K=     4:     4) =       1.80087673 <eko_old-eko_new>:(  0.33345D-08  0.13382D-08  0.16339D-04)
 !iter =       5 ntcnvg =       2
 Wave Functions have converged at       5 -th iteration
 === energy_eigen_values ===
 ik =       4 (   0.000000  0.375000  0.375000 )
     -0.1127382649      0.0267078739      0.1350133964      0.1350133964
      0.2576820176      0.2927496630      0.5332243244      0.5332243245

 nfzaj is opened
 !D Writing WaveFunctions ik =     1
 
 ------------------------
 nk_in_the_process =      5 nk in the k_point_group =      5
 nkgroup =      5
 iteration_electronic =      0
 !kp nk, kv3, kv3_ek =      5     1    19
 !kp      1  0.6124  0.0000  0.0000  0.0000  0.5000  0.5000
 ! iba(     1) =    116,  nbase(   116,     1) =     164
!! icond, nk_in_the_process, first_kpoint_in_this_job =        2       5       0
 << CPU Time Consumption -- TOP   6 Subroutines (    0) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1   5              m_NLP_betar_dot_PWs     0.00300 33.33       1       1
   2  20                 prepare_Hloc_phi     0.00200 22.22       3       2
   3  21          evolve_WFs_in_subspace      0.00200 22.22       3       3
   4  17         decide_correction_vector     0.00100 11.11       3       4
   5  13                    betar_dot_Psi     0.00100 11.11       5       5
   6  16             m_ES_WF_in_Rspace(1)     0.00100 11.11      80       6
 Total cputime of (    0 )-th iteration       0.00900 /     0.171 (sec.)
 ---- iteration(total, ionic, electronic) =       18       1       1 ----
 ENERGY EIGEN VALUE SUM. FOR     1 -TH ITER (K=     5:     5) =       1.80087673 <eko_old-eko_new>:(  0.00000D+00  0.00000D+00  0.00000D+00)
 !iter =       1 ntcnvg =       1
 iteration_electronic =      1
 === energy_eigen_values ===
 ik =       5 (   0.000000  0.500000  0.500000 )
     -0.1127382649      0.0267078739      0.1350133964      0.1350133964
      0.2576820176      0.2927496630      0.5332243244      0.5332243245

 ---- iteration(total, ionic, electronic) =       19       1       2 ----
 ENERGY EIGEN VALUE SUM. FOR     2 -TH ITER (K=     5:     5) =       1.89496078 <eko_old-eko_new>:(  0.47058D-01  0.34276D-01  0.10029D+00)
 << CPU Time Consumption -- TOP   4 Subroutines (    2) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  16             m_ES_WF_in_Rspace(1)     0.00300 42.86      80       1
   2  20                 prepare_Hloc_phi     0.00300 42.86       3       2
   3  21          evolve_WFs_in_subspace      0.00300 42.86       3       3
   4  15           evolve_WFs_in_subspace     0.00100 14.29       1       4
 Total cputime of (    2 )-th iteration       0.00700 /     0.178 (sec.)
 ---- iteration(total, ionic, electronic) =       20       1       3 ----
 ENERGY EIGEN VALUE SUM. FOR     3 -TH ITER (K=     5:     5) =       1.88269465 <eko_old-eko_new>:(  0.27422D-02  0.12266D-02  0.17441D-01)
 ---- iteration(total, ionic, electronic) =       21       1       4 ----
 ENERGY EIGEN VALUE SUM. FOR     4 -TH ITER (K=     5:     5) =       1.88182239 <eko_old-eko_new>:(  0.27473D-03  0.87226D-04  0.34392D-02)
 << CPU Time Consumption -- TOP   5 Subroutines (    4) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  16             m_ES_WF_in_Rspace(1)     0.00300 37.50      80       1
   2  17         decide_correction_vector     0.00300 37.50       3       2
   3  21          evolve_WFs_in_subspace      0.00200 25.00       3       3
   4  20                 prepare_Hloc_phi     0.00100 12.50       3       4
   5  12            modified_gram_schmidt     0.00100 12.50       1       5
 Total cputime of (    4 )-th iteration       0.00800 /     0.193 (sec.)
 ---- iteration(total, ionic, electronic) =       22       1       5 ----
 ENERGY EIGEN VALUE SUM. FOR     5 -TH ITER (K=     5:     5) =       1.88172651 <eko_old-eko_new>:(  0.30309D-04  0.95879D-05  0.10936D-02)
 << CPU Time Consumption -- TOP   4 Subroutines (    5) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  17         decide_correction_vector     0.00300 50.00       3       1
   2  21          evolve_WFs_in_subspace      0.00200 33.33       3       2
   3  20                 prepare_Hloc_phi     0.00100 16.67       3       3
   4  16             m_ES_WF_in_Rspace(1)     0.00100 16.67      80       4
 Total cputime of (    5 )-th iteration       0.00600 /     0.199 (sec.)
 ---- iteration(total, ionic, electronic) =       23       1       6 ----
 Number of rr_under =     6
 ENERGY EIGEN VALUE SUM. FOR     6 -TH ITER (K=     5:     5) =       1.88172381 <eko_old-eko_new>:(  0.85334D-06  0.26994D-06  0.18350D-03)
 !iter =       6 ntcnvg =       1
 << CPU Time Consumption -- TOP   2 Subroutines (    6) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  13                    betar_dot_Psi     0.00100 33.33       5       1
   2  15           evolve_WFs_in_subspace     0.00100 33.33       1       2
 Total cputime of (    6 )-th iteration       0.00300 /     0.202 (sec.)
 ---- iteration(total, ionic, electronic) =       24       1       7 ----
 Number of rr_under =     6
 ENERGY EIGEN VALUE SUM. FOR     7 -TH ITER (K=     5:     5) =       1.88172276 <eko_old-eko_new>:(  0.33286D-06  0.10528D-06  0.11396D-03)
 !iter =       7 ntcnvg =       2
 Wave Functions have converged at       7 -th iteration
 === energy_eigen_values ===
 ik =       5 (   0.000000  0.500000  0.500000 )
     -0.0484323990     -0.0484323990      0.1258095457      0.1258095457
      0.2619555809      0.2619555809      0.6015285788      0.6015287250

 nfzaj is opened
 !D Writing WaveFunctions ik =     1
 
 ------------------------
 nk_in_the_process =      6 nk in the k_point_group =      6
 nkgroup =      6
 iteration_electronic =      0
 !kp nk, kv3, kv3_ek =      6     1    19
 !kp      1  0.1531  0.1531  0.0000  0.1250  0.1250  0.2500
 ! iba(     1) =    123,  nbase(   123,     1) =     132
!! icond, nk_in_the_process, first_kpoint_in_this_job =        2       6       0
 << CPU Time Consumption -- TOP   2 Subroutines (    0) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1   5              m_NLP_betar_dot_PWs     0.00300 60.00       1       1
   2  15           evolve_WFs_in_subspace     0.00100 20.00       1       2
 Total cputime of (    0 )-th iteration       0.00500 /     0.207 (sec.)
 ---- iteration(total, ionic, electronic) =       25       1       1 ----
 ENERGY EIGEN VALUE SUM. FOR     1 -TH ITER (K=     6:     6) =       1.88172276 <eko_old-eko_new>:(  0.00000D+00  0.00000D+00  0.00000D+00)
 !iter =       1 ntcnvg =       1
 iteration_electronic =      1
 === energy_eigen_values ===
 ik =       6 (   0.125000  0.125000  0.250000 )
     -0.0484323990     -0.0484323990      0.1258095457      0.1258095457
      0.2619555809      0.2619555809      0.6015285788      0.6015287250

 ---- iteration(total, ionic, electronic) =       26       1       2 ----
 ENERGY EIGEN VALUE SUM. FOR     2 -TH ITER (K=     6:     6) =       1.84081086 <eko_old-eko_new>:(  0.12774D+00  0.10357D+00  0.19520D+00)
 << CPU Time Consumption -- TOP   4 Subroutines (    2) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  20                 prepare_Hloc_phi     0.00300 42.86       3       1
   2  21          evolve_WFs_in_subspace      0.00300 42.86       3       2
   3  15           evolve_WFs_in_subspace     0.00100 14.29       1       3
   4  16             m_ES_WF_in_Rspace(1)     0.00100 14.29      80       4
 Total cputime of (    2 )-th iteration       0.00700 /     0.214 (sec.)
 ---- iteration(total, ionic, electronic) =       27       1       3 ----
 ENERGY EIGEN VALUE SUM. FOR     3 -TH ITER (K=     6:     6) =       1.83955959 <eko_old-eko_new>:(  0.35449D-03  0.12513D-03  0.50420D-02)
 ---- iteration(total, ionic, electronic) =       28       1       4 ----
 ENERGY EIGEN VALUE SUM. FOR     4 -TH ITER (K=     6:     6) =       1.83955839 <eko_old-eko_new>:(  0.37468D-06  0.12000D-06  0.11972D-03)
 !iter =       4 ntcnvg =       1
 << CPU Time Consumption -- TOP   5 Subroutines (    4) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  16             m_ES_WF_in_Rspace(1)     0.00400 50.00      80       1
   2  17         decide_correction_vector     0.00300 37.50       3       2
   3  21          evolve_WFs_in_subspace      0.00300 37.50       3       3
   4  20                 prepare_Hloc_phi     0.00100 12.50       3       4
   5  14                 m_ES_Vnonlocal_W     0.00100 12.50       4       5
 Total cputime of (    4 )-th iteration       0.00800 /     0.229 (sec.)
 ---- iteration(total, ionic, electronic) =       29       1       5 ----
 ENERGY EIGEN VALUE SUM. FOR     5 -TH ITER (K=     6:     6) =       1.83955838 <eko_old-eko_new>:(  0.49276D-09  0.15616D-09  0.36889D-05)
 !iter =       5 ntcnvg =       2
 Wave Functions have converged at       5 -th iteration
 === energy_eigen_values ===
 ik =       6 (   0.125000  0.125000  0.250000 )
     -0.1796236111      0.1359303257      0.1720416320      0.2219815443
      0.3462231742      0.3482004163      0.3581633605      0.4366415427

 nfzaj is opened
 !D Writing WaveFunctions ik =     1
 
 ------------------------
 nk_in_the_process =      7 nk in the k_point_group =      7
 nkgroup =      7
 iteration_electronic =      0
 !kp nk, kv3, kv3_ek =      7     1    19
 !kp      1  0.3062  0.1531  0.0000  0.1250  0.2500  0.3750
 ! iba(     1) =    127,  nbase(   127,     1) =     158
!! icond, nk_in_the_process, first_kpoint_in_this_job =        2       7       0
 << CPU Time Consumption -- TOP   5 Subroutines (    0) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  16             m_ES_WF_in_Rspace(1)     0.00300 33.33      80       1
   2  17         decide_correction_vector     0.00300 33.33       3       2
   3   5              m_NLP_betar_dot_PWs     0.00200 22.22       1       3
   4  20                 prepare_Hloc_phi     0.00200 22.22       3       4
   5  21          evolve_WFs_in_subspace      0.00100 11.11       3       5
 Total cputime of (    0 )-th iteration       0.00900 /     0.238 (sec.)
 ---- iteration(total, ionic, electronic) =       30       1       1 ----
 ENERGY EIGEN VALUE SUM. FOR     1 -TH ITER (K=     7:     7) =       1.83955838 <eko_old-eko_new>:(  0.00000D+00  0.00000D+00  0.00000D+00)
 !iter =       1 ntcnvg =       1
 iteration_electronic =      1
 === energy_eigen_values ===
 ik =       7 (   0.125000  0.250000  0.375000 )
     -0.1796236111      0.1359303257      0.1720416320      0.2219815443
      0.3462231742      0.3482004163      0.3581633605      0.4366415427

 ---- iteration(total, ionic, electronic) =       31       1       2 ----
 ENERGY EIGEN VALUE SUM. FOR     2 -TH ITER (K=     7:     7) =       1.76749293 <eko_old-eko_new>:(  0.31686D-01  0.25463D-01  0.90059D-01)
 << CPU Time Consumption -- TOP   5 Subroutines (    2) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  17         decide_correction_vector     0.00300 37.50       3       1
   2  21          evolve_WFs_in_subspace      0.00300 37.50       3       2
   3  15           evolve_WFs_in_subspace     0.00100 12.50       1       3
   4  20                 prepare_Hloc_phi     0.00100 12.50       3       4
   5  16             m_ES_WF_in_Rspace(1)     0.00100 12.50      80       5
 Total cputime of (    2 )-th iteration       0.00800 /     0.246 (sec.)
 ---- iteration(total, ionic, electronic) =       32       1       3 ----
 ENERGY EIGEN VALUE SUM. FOR     3 -TH ITER (K=     7:     7) =       1.76748251 <eko_old-eko_new>:(  0.17670D-05  0.10418D-05  0.58925D-03)
 !iter =       3 ntcnvg =       1
 << CPU Time Consumption -- TOP   5 Subroutines (    3) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  20                 prepare_Hloc_phi     0.00300 42.86       3       1
   2  17         decide_correction_vector     0.00200 28.57       3       2
   3  16             m_ES_WF_in_Rspace(1)     0.00200 28.57      80       3
   4  14                 m_ES_Vnonlocal_W     0.00100 14.29       4       4
   5  21          evolve_WFs_in_subspace      0.00100 14.29       3       5
 Total cputime of (    3 )-th iteration       0.00700 /     0.253 (sec.)
 ---- iteration(total, ionic, electronic) =       33       1       4 ----
 ENERGY EIGEN VALUE SUM. FOR     4 -TH ITER (K=     7:     7) =       1.76748250 <eko_old-eko_new>:(  0.10846D-08  0.44147D-09  0.90714D-05)
 !iter =       4 ntcnvg =       2
 Wave Functions have converged at       4 -th iteration
 === energy_eigen_values ===
 ik =       7 (   0.125000  0.250000  0.375000 )
     -0.1518600259      0.0781642527      0.1317227976      0.1793435137
      0.3235954467      0.3786060086      0.3905931975      0.4373173131

 nfzaj is opened
 !D Writing WaveFunctions ik =     1
 
 ------------------------
 nk_in_the_process =      8 nk in the k_point_group =      8
 nkgroup =      8
 iteration_electronic =      0
 !kp nk, kv3, kv3_ek =      8     1    19
 !kp      1  0.4593  0.1531  0.0000  0.1250  0.3750  0.5000
 ! iba(     1) =    124,  nbase(   124,     1) =     158
!! icond, nk_in_the_process, first_kpoint_in_this_job =        2       8       0
 << CPU Time Consumption -- TOP   5 Subroutines (    0) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1   5              m_NLP_betar_dot_PWs     0.00300 30.00       1       1
   2  20                 prepare_Hloc_phi     0.00300 30.00       3       2
   3  21          evolve_WFs_in_subspace      0.00300 30.00       3       3
   4  15           evolve_WFs_in_subspace     0.00100 10.00       1       4
   5  16             m_ES_WF_in_Rspace(1)     0.00100 10.00      80       5
 Total cputime of (    0 )-th iteration       0.01000 /     0.263 (sec.)
 ---- iteration(total, ionic, electronic) =       34       1       1 ----
 ENERGY EIGEN VALUE SUM. FOR     1 -TH ITER (K=     8:     8) =       1.76748250 <eko_old-eko_new>:(  0.00000D+00  0.00000D+00  0.00000D+00)
 !iter =       1 ntcnvg =       1
 iteration_electronic =      1
 === energy_eigen_values ===
 ik =       8 (   0.125000  0.375000  0.500000 )
     -0.1518600259      0.0781642527      0.1317227976      0.1793435137
      0.3235954467      0.3786060086      0.3905931975      0.4373173131

 ---- iteration(total, ionic, electronic) =       35       1       2 ----
 ENERGY EIGEN VALUE SUM. FOR     2 -TH ITER (K=     8:     8) =       1.76797621 <eko_old-eko_new>:(  0.48102D-01  0.39359D-01  0.11898D+00)
 << CPU Time Consumption -- TOP   4 Subroutines (    2) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  20                 prepare_Hloc_phi     0.00300 42.86       3       1
   2  21          evolve_WFs_in_subspace      0.00300 42.86       3       2
   3  16             m_ES_WF_in_Rspace(1)     0.00200 28.57      80       3
   4  15           evolve_WFs_in_subspace     0.00100 14.29       1       4
 Total cputime of (    2 )-th iteration       0.00700 /     0.270 (sec.)
 ---- iteration(total, ionic, electronic) =       36       1       3 ----
 ENERGY EIGEN VALUE SUM. FOR     3 -TH ITER (K=     8:     8) =       1.76751121 <eko_old-eko_new>:(  0.14303D-03  0.46500D-04  0.27452D-02)
 ---- iteration(total, ionic, electronic) =       37       1       4 ----
 ENERGY EIGEN VALUE SUM. FOR     4 -TH ITER (K=     8:     8) =       1.76750871 <eko_old-eko_new>:(  0.78918D-06  0.25034D-06  0.17209D-03)
 !iter =       4 ntcnvg =       1
 << CPU Time Consumption -- TOP   4 Subroutines (    4) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  16             m_ES_WF_in_Rspace(1)     0.00300 37.50      80       1
   2  17         decide_correction_vector     0.00300 37.50       3       2
   3  21          evolve_WFs_in_subspace      0.00300 37.50       3       3
   4  20                 prepare_Hloc_phi     0.00100 12.50       3       4
 Total cputime of (    4 )-th iteration       0.00800 /     0.285 (sec.)
 ---- iteration(total, ionic, electronic) =       38       1       5 ----
 ENERGY EIGEN VALUE SUM. FOR     5 -TH ITER (K=     8:     8) =       1.76750870 <eko_old-eko_new>:(  0.38391D-08  0.12152D-08  0.11346D-04)
 !iter =       5 ntcnvg =       2
 Wave Functions have converged at       5 -th iteration
 === energy_eigen_values ===
 ik =       8 (   0.125000  0.375000  0.500000 )
     -0.1055446574      0.0187019821      0.1073096890      0.1294056966
      0.3062631751      0.3332006212      0.4479701416      0.5302020475

 nfzaj is opened
 !D Writing WaveFunctions ik =     1
 
 ------------------------
 nk_in_the_process =      9 nk in the k_point_group =      9
 nkgroup =      9
 iteration_electronic =      0
 !kp nk, kv3, kv3_ek =      9     1    19
 !kp      1  0.6124  0.1531  0.0000  0.1250  0.5000  0.6250
 ! iba(     1) =    120,  nbase(   120,     1) =     172
!! icond, nk_in_the_process, first_kpoint_in_this_job =        2       9       0
 << CPU Time Consumption -- TOP   6 Subroutines (    0) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  16             m_ES_WF_in_Rspace(1)     0.00400 44.44      80       1
   2  20                 prepare_Hloc_phi     0.00300 33.33       3       2
   3   5              m_NLP_betar_dot_PWs     0.00200 22.22       1       3
   4  17         decide_correction_vector     0.00100 11.11       3       4
   5  13                    betar_dot_Psi     0.00100 11.11       5       5
   6  21          evolve_WFs_in_subspace      0.00100 11.11       3       6
 Total cputime of (    0 )-th iteration       0.00900 /     0.294 (sec.)
 ---- iteration(total, ionic, electronic) =       39       1       1 ----
 ENERGY EIGEN VALUE SUM. FOR     1 -TH ITER (K=     9:     9) =       1.76750870 <eko_old-eko_new>:(  0.00000D+00  0.00000D+00  0.00000D+00)
 !iter =       1 ntcnvg =       1
 iteration_electronic =      1
 === energy_eigen_values ===
 ik =       9 (   0.125000  0.500000  0.625000 )
     -0.1055446574      0.0187019821      0.1073096890      0.1294056966
      0.3062631751      0.3332006212      0.4479701416      0.5302020475

 ---- iteration(total, ionic, electronic) =       40       1       2 ----
 ENERGY EIGEN VALUE SUM. FOR     2 -TH ITER (K=     9:     9) =       1.78642024 <eko_old-eko_new>:(  0.38738D-01  0.25993D-01  0.73886D-01)
 << CPU Time Consumption -- TOP   5 Subroutines (    2) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  16             m_ES_WF_in_Rspace(1)     0.00300 42.86      80       1
   2  17         decide_correction_vector     0.00300 42.86       3       2
   3  21          evolve_WFs_in_subspace      0.00200 28.57       3       3
   4  20                 prepare_Hloc_phi     0.00100 14.29       3       4
   5  15           evolve_WFs_in_subspace     0.00100 14.29       1       5
 Total cputime of (    2 )-th iteration       0.00700 /     0.301 (sec.)
 ---- iteration(total, ionic, electronic) =       41       1       3 ----
 ENERGY EIGEN VALUE SUM. FOR     3 -TH ITER (K=     9:     9) =       1.78623478 <eko_old-eko_new>:(  0.40900D-04  0.18545D-04  0.21763D-02)
 ---- iteration(total, ionic, electronic) =       42       1       4 ----
 ENERGY EIGEN VALUE SUM. FOR     4 -TH ITER (K=     9:     9) =       1.78623374 <eko_old-eko_new>:(  0.23698D-06  0.10489D-06  0.14807D-03)
 !iter =       4 ntcnvg =       1
 << CPU Time Consumption -- TOP   4 Subroutines (    4) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  16             m_ES_WF_in_Rspace(1)     0.00300 37.50      80       1
   2  17         decide_correction_vector     0.00300 37.50       3       2
   3  21          evolve_WFs_in_subspace      0.00300 37.50       3       3
   4  20                 prepare_Hloc_phi     0.00100 12.50       3       4
 Total cputime of (    4 )-th iteration       0.00800 /     0.316 (sec.)
 ---- iteration(total, ionic, electronic) =       43       1       5 ----
 ENERGY EIGEN VALUE SUM. FOR     5 -TH ITER (K=     9:     9) =       1.78623373 <eko_old-eko_new>:(  0.11500D-08  0.49120D-09  0.10035D-04)
 !iter =       5 ntcnvg =       2
 Wave Functions have converged at       5 -th iteration
 === energy_eigen_values ===
 ik =       9 (   0.125000  0.500000  0.625000 )
     -0.0455997411     -0.0455997411      0.1050933169      0.1050933169
      0.3080970995      0.3080970995      0.5255261902      0.5255261902

 nfzaj is opened
 !D Writing WaveFunctions ik =     1
 
 ------------------------
 nk_in_the_process =     10 nk in the k_point_group =     10
 nkgroup =     10
 iteration_electronic =      0
 !kp nk, kv3, kv3_ek =     10     1    19
 !kp      1  0.3062  0.3062  0.0000  0.2500  0.2500  0.5000
 ! iba(     1) =    125,  nbase(   125,     1) =     158
!! icond, nk_in_the_process, first_kpoint_in_this_job =        2      10       0
 << CPU Time Consumption -- TOP   5 Subroutines (    0) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1   5              m_NLP_betar_dot_PWs     0.00300 33.33       1       1
   2  16             m_ES_WF_in_Rspace(1)     0.00300 33.33      80       2
   3  17         decide_correction_vector     0.00300 33.33       3       3
   4  20                 prepare_Hloc_phi     0.00200 22.22       3       4
   5  21          evolve_WFs_in_subspace      0.00100 11.11       3       5
 Total cputime of (    0 )-th iteration       0.00900 /     0.325 (sec.)
 ---- iteration(total, ionic, electronic) =       44       1       1 ----
 ENERGY EIGEN VALUE SUM. FOR     1 -TH ITER (K=    10:    10) =       1.78623373 <eko_old-eko_new>:(  0.00000D+00  0.00000D+00  0.00000D+00)
 !iter =       1 ntcnvg =       1
 iteration_electronic =      1
 === energy_eigen_values ===
 ik =      10 (   0.250000  0.250000  0.500000 )
     -0.0455997411     -0.0455997411      0.1050933169      0.1050933169
      0.3080970995      0.3080970995      0.5255261902      0.5255261902

 ---- iteration(total, ionic, electronic) =       45       1       2 ----
 ENERGY EIGEN VALUE SUM. FOR     2 -TH ITER (K=    10:    10) =       1.80556212 <eko_old-eko_new>:(  0.66582D-01  0.53734D-01  0.12863D+00)
 << CPU Time Consumption -- TOP   6 Subroutines (    2) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  17         decide_correction_vector     0.00300 42.86       3       1
   2  13                    betar_dot_Psi     0.00200 28.57       5       2
   3  21          evolve_WFs_in_subspace      0.00200 28.57       3       3
   4  15           evolve_WFs_in_subspace     0.00100 14.29       1       4
   5  20                 prepare_Hloc_phi     0.00100 14.29       3       5
   6  16             m_ES_WF_in_Rspace(1)     0.00100 14.29      80       6
 Total cputime of (    2 )-th iteration       0.00700 /     0.333 (sec.)
 ---- iteration(total, ionic, electronic) =       46       1       3 ----
 ENERGY EIGEN VALUE SUM. FOR     3 -TH ITER (K=    10:    10) =       1.80414997 <eko_old-eko_new>:(  0.43771D-03  0.14121D-03  0.44107D-02)
 << CPU Time Consumption -- TOP   4 Subroutines (    3) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  16             m_ES_WF_in_Rspace(1)     0.00400 50.00      80       1
   2  17         decide_correction_vector     0.00300 37.50       3       2
   3  21          evolve_WFs_in_subspace      0.00300 37.50       3       3
   4  20                 prepare_Hloc_phi     0.00100 12.50       3       4
 Total cputime of (    3 )-th iteration       0.00800 /     0.340 (sec.)
 ---- iteration(total, ionic, electronic) =       47       1       4 ----
 ENERGY EIGEN VALUE SUM. FOR     4 -TH ITER (K=    10:    10) =       1.80414883 <eko_old-eko_new>:(  0.35853D-06  0.11363D-06  0.10828D-03)
 !iter =       4 ntcnvg =       1
 << CPU Time Consumption -- TOP   4 Subroutines (    4) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  20                 prepare_Hloc_phi     0.00300 42.86       3       1
   2  21          evolve_WFs_in_subspace      0.00300 42.86       3       2
   3  16             m_ES_WF_in_Rspace(1)     0.00200 28.57      80       3
   4  15           evolve_WFs_in_subspace     0.00100 14.29       1       4
 Total cputime of (    4 )-th iteration       0.00700 /     0.347 (sec.)
 ---- iteration(total, ionic, electronic) =       48       1       5 ----
 ENERGY EIGEN VALUE SUM. FOR     5 -TH ITER (K=    10:    10) =       1.80414883 <eko_old-eko_new>:(  0.35601D-09  0.11265D-09  0.32088D-05)
 !iter =       5 ntcnvg =       2
 Wave Functions have converged at       5 -th iteration
 === energy_eigen_values ===
 ik =      10 (   0.250000  0.250000  0.500000 )
     -0.1255808661      0.0352185007      0.0929252187      0.1826783172
      0.3257896496      0.4103142281      0.4255200546      0.4572837298

 nfzaj is opened
 !D Writing WaveFunctions ik =     1
 
 ------------------------
 nk_in_the_process =     11 nk in the k_point_group =     11
 nkgroup =     11
 iteration_electronic =      0
 !kp nk, kv3, kv3_ek =     11     1    19
 !kp      1  0.4593  0.3062  0.0000  0.2500  0.3750  0.6250
 ! iba(     1) =    121,  nbase(   121,     1) =     172
!! icond, nk_in_the_process, first_kpoint_in_this_job =        2      11       0
 << CPU Time Consumption -- TOP   6 Subroutines (    0) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1   5              m_NLP_betar_dot_PWs     0.00300 30.00       1       1
   2  17         decide_correction_vector     0.00300 30.00       3       2
   3  16             m_ES_WF_in_Rspace(1)     0.00200 20.00      80       3
   4  21          evolve_WFs_in_subspace      0.00200 20.00       3       4
   5  20                 prepare_Hloc_phi     0.00100 10.00       3       5
   6  15           evolve_WFs_in_subspace     0.00100 10.00       1       6
 Total cputime of (    0 )-th iteration       0.01000 /     0.357 (sec.)
 ---- iteration(total, ionic, electronic) =       49       1       1 ----
 ENERGY EIGEN VALUE SUM. FOR     1 -TH ITER (K=    11:    11) =       1.80414883 <eko_old-eko_new>:(  0.00000D+00  0.00000D+00  0.00000D+00)
 !iter =       1 ntcnvg =       1
 iteration_electronic =      1
 === energy_eigen_values ===
 ik =      11 (   0.250000  0.375000  0.625000 )
     -0.1255808661      0.0352185007      0.0929252187      0.1826783172
      0.3257896496      0.4103142281      0.4255200546      0.4572837298

 ---- iteration(total, ionic, electronic) =       50       1       2 ----
 ENERGY EIGEN VALUE SUM. FOR     2 -TH ITER (K=    11:    11) =       1.79153789 <eko_old-eko_new>:(  0.26965D-01  0.20602D-01  0.72309D-01)
 << CPU Time Consumption -- TOP   6 Subroutines (    2) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  21          evolve_WFs_in_subspace      0.00300 42.86       3       1
   2  17         decide_correction_vector     0.00200 28.57       3       2
   3  16             m_ES_WF_in_Rspace(1)     0.00100 14.29      80       3
   4  13                    betar_dot_Psi     0.00100 14.29       5       4
   5  20                 prepare_Hloc_phi     0.00100 14.29       3       5
   6  15           evolve_WFs_in_subspace     0.00100 14.29       1       6
 Total cputime of (    2 )-th iteration       0.00700 /     0.364 (sec.)
 ---- iteration(total, ionic, electronic) =       51       1       3 ----
 ENERGY EIGEN VALUE SUM. FOR     3 -TH ITER (K=    11:    11) =       1.79151135 <eko_old-eko_new>:(  0.64358D-05  0.26546D-05  0.85703D-03)
 !iter =       3 ntcnvg =       1
 << CPU Time Consumption -- TOP   4 Subroutines (    3) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  17         decide_correction_vector     0.00300 37.50       3       1
   2  21          evolve_WFs_in_subspace      0.00300 37.50       3       2
   3  20                 prepare_Hloc_phi     0.00100 12.50       3       3
   4  16             m_ES_WF_in_Rspace(1)     0.00100 12.50      80       4
 Total cputime of (    3 )-th iteration       0.00800 /     0.372 (sec.)
 ---- iteration(total, ionic, electronic) =       52       1       4 ----
 ENERGY EIGEN VALUE SUM. FOR     4 -TH ITER (K=    11:    11) =       1.79151133 <eko_old-eko_new>:(  0.50414D-08  0.16765D-08  0.15835D-04)
 !iter =       4 ntcnvg =       2
 Wave Functions have converged at       4 -th iteration
 === energy_eigen_values ===
 ik =      11 (   0.250000  0.375000  0.625000 )
     -0.0856753284     -0.0025451006      0.0750316508      0.1360918824
      0.3413078231      0.4032381981      0.4285587225      0.4955034827

 nfzaj is opened
 !D Writing WaveFunctions ik =     1
 
 ------------------------
 nk_in_the_process =     12 nk in the k_point_group =     12
 nkgroup =     12
 iteration_electronic =      0
 !kp nk, kv3, kv3_ek =     12     1    19
 !kp      1  0.6124  0.3062  0.0000  0.2500  0.5000  0.7500
 ! iba(     1) =    116,  nbase(   116,     1) =     200
!! icond, nk_in_the_process, first_kpoint_in_this_job =        2      12       0
 << CPU Time Consumption -- TOP   5 Subroutines (    0) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  16             m_ES_WF_in_Rspace(1)     0.00300 33.33      80       1
   2  20                 prepare_Hloc_phi     0.00300 33.33       3       2
   3   5              m_NLP_betar_dot_PWs     0.00200 22.22       1       3
   4  21          evolve_WFs_in_subspace      0.00200 22.22       3       4
   5  17         decide_correction_vector     0.00100 11.11       3       5
 Total cputime of (    0 )-th iteration       0.00900 /     0.382 (sec.)
 ---- iteration(total, ionic, electronic) =       53       1       1 ----
 ENERGY EIGEN VALUE SUM. FOR     1 -TH ITER (K=    12:    12) =       1.79151133 <eko_old-eko_new>:(  0.00000D+00  0.00000D+00  0.00000D+00)
 !iter =       1 ntcnvg =       1
 iteration_electronic =      1
 === energy_eigen_values ===
 ik =      12 (   0.250000  0.500000  0.750000 )
     -0.0856753284     -0.0025451006      0.0750316508      0.1360918824
      0.3413078231      0.4032381981      0.4285587225      0.4955034827

 << CPU Time Consumption -- TOP   0 Subroutines (    1) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
 Total cputime of (    1 )-th iteration       0.00100 /     0.382 (sec.)
 ---- iteration(total, ionic, electronic) =       54       1       2 ----
 ENERGY EIGEN VALUE SUM. FOR     2 -TH ITER (K=    12:    12) =       1.72322392 <eko_old-eko_new>:(  0.37939D-01  0.28908D-01  0.89550D-01)
 << CPU Time Consumption -- TOP   5 Subroutines (    2) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  16             m_ES_WF_in_Rspace(1)     0.00300 42.86      80       1
   2  17         decide_correction_vector     0.00200 28.57       3       2
   3  20                 prepare_Hloc_phi     0.00200 28.57       3       3
   4  21          evolve_WFs_in_subspace      0.00200 28.57       3       4
   5  14                 m_ES_Vnonlocal_W     0.00100 14.29       4       5
 Total cputime of (    2 )-th iteration       0.00700 /     0.389 (sec.)
 ---- iteration(total, ionic, electronic) =       55       1       3 ----
 ENERGY EIGEN VALUE SUM. FOR     3 -TH ITER (K=    12:    12) =       1.72321365 <eko_old-eko_new>:(  0.14003D-05  0.10268D-05  0.60947D-03)
 !iter =       3 ntcnvg =       1
 ---- iteration(total, ionic, electronic) =       56       1       4 ----
 ENERGY EIGEN VALUE SUM. FOR     4 -TH ITER (K=    12:    12) =       1.72321365 <eko_old-eko_new>:(  0.43691D-09  0.23443D-09  0.69970D-05)
 !iter =       4 ntcnvg =       2
 Wave Functions have converged at       4 -th iteration
 === energy_eigen_values ===
 ik =      12 (   0.250000  0.500000  0.750000 )
     -0.0409943952     -0.0409943952      0.0887170944      0.0887170944
      0.3933373225      0.3933373225      0.4205468021      0.4205468021

 nfzaj is opened
 !D Writing WaveFunctions ik =     1
 
 ------------------------
 nk_in_the_process =     13 nk in the k_point_group =     13
 nkgroup =     13
 iteration_electronic =      0
 !kp nk, kv3, kv3_ek =     13     1    19
 !kp      1  0.4593  0.4593  0.0000  0.3750  0.3750  0.7500
 ! iba(     1) =    116,  nbase(   116,     1) =     172
!! icond, nk_in_the_process, first_kpoint_in_this_job =        2      13       0
 << CPU Time Consumption -- TOP   7 Subroutines (    0) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1   5              m_NLP_betar_dot_PWs     0.00300 30.00       1       1
   2  21          evolve_WFs_in_subspace      0.00300 30.00       3       2
   3  20                 prepare_Hloc_phi     0.00200 20.00       3       3
   4  16             m_ES_WF_in_Rspace(1)     0.00200 20.00      80       4
   5  17         decide_correction_vector     0.00100 10.00       3       5
   6  15           evolve_WFs_in_subspace     0.00100 10.00       1       6
   7  13                    betar_dot_Psi     0.00100 10.00       5       7
 Total cputime of (    0 )-th iteration       0.01000 /     0.406 (sec.)
 ---- iteration(total, ionic, electronic) =       57       1       1 ----
 ENERGY EIGEN VALUE SUM. FOR     1 -TH ITER (K=    13:    13) =       1.72321365 <eko_old-eko_new>:(  0.00000D+00  0.00000D+00  0.00000D+00)
 !iter =       1 ntcnvg =       1
 iteration_electronic =      1
 === energy_eigen_values ===
 ik =      13 (   0.375000  0.375000  0.750000 )
     -0.0409943952     -0.0409943952      0.0887170944      0.0887170944
      0.3933373225      0.3933373225      0.4205468021      0.4205468021

 ---- iteration(total, ionic, electronic) =       58       1       2 ----
 ENERGY EIGEN VALUE SUM. FOR     2 -TH ITER (K=    13:    13) =       1.83732906 <eko_old-eko_new>:(  0.60822D-01  0.42532D-01  0.11934D+00)
 << CPU Time Consumption -- TOP   4 Subroutines (    2) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  20                 prepare_Hloc_phi     0.00300 42.86       3       1
   2  21          evolve_WFs_in_subspace      0.00300 42.86       3       2
   3  16             m_ES_WF_in_Rspace(1)     0.00200 28.57      80       3
   4  15           evolve_WFs_in_subspace     0.00100 14.29       1       4
 Total cputime of (    2 )-th iteration       0.00700 /     0.413 (sec.)
 ---- iteration(total, ionic, electronic) =       59       1       3 ----
 ENERGY EIGEN VALUE SUM. FOR     3 -TH ITER (K=    13:    13) =       1.83686457 <eko_old-eko_new>:(  0.13218D-03  0.46449D-04  0.30399D-02)
 ---- iteration(total, ionic, electronic) =       60       1       4 ----
 ENERGY EIGEN VALUE SUM. FOR     4 -TH ITER (K=    13:    13) =       1.83686364 <eko_old-eko_new>:(  0.28554D-06  0.93136D-07  0.11616D-03)
 !iter =       4 ntcnvg =       1
 << CPU Time Consumption -- TOP   4 Subroutines (    4) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  17         decide_correction_vector     0.00300 37.50       3       1
   2  21          evolve_WFs_in_subspace      0.00300 37.50       3       2
   3  16             m_ES_WF_in_Rspace(1)     0.00200 25.00      80       3
   4  20                 prepare_Hloc_phi     0.00100 12.50       3       4
 Total cputime of (    4 )-th iteration       0.00800 /     0.428 (sec.)
 ---- iteration(total, ionic, electronic) =       61       1       5 ----
 ENERGY EIGEN VALUE SUM. FOR     5 -TH ITER (K=    13:    13) =       1.83686364 <eko_old-eko_new>:(  0.86519D-09  0.27696D-09  0.53994D-05)
 !iter =       5 ntcnvg =       2
 Wave Functions have converged at       5 -th iteration
 === energy_eigen_values ===
 ik =      13 (   0.375000  0.375000  0.750000 )
     -0.0628944305     -0.0257739784      0.0719973044      0.1417537207
      0.2811460997      0.3885426600      0.5092687921      0.5328234681

 nfzaj is opened
 !D Writing WaveFunctions ik =     1
 
 ------------------------
 nk_in_the_process =     14 nk in the k_point_group =     14
 nkgroup =     14
 iteration_electronic =      0
 !kp nk, kv3, kv3_ek =     14     1    19
 !kp      1  0.1531  0.1531  0.1531  0.2500  0.2500  0.2500
 ! iba(     1) =    126,  nbase(   126,     1) =     148
!! icond, nk_in_the_process, first_kpoint_in_this_job =        2      14       0
 << CPU Time Consumption -- TOP   5 Subroutines (    0) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  20                 prepare_Hloc_phi     0.00300 33.33       3       1
   2   5              m_NLP_betar_dot_PWs     0.00200 22.22       1       2
   3  21          evolve_WFs_in_subspace      0.00200 22.22       3       3
   4  15           evolve_WFs_in_subspace     0.00100 11.11       1       4
   5  16             m_ES_WF_in_Rspace(1)     0.00100 11.11      80       5
 Total cputime of (    0 )-th iteration       0.00900 /     0.437 (sec.)
 ---- iteration(total, ionic, electronic) =       62       1       1 ----
 ENERGY EIGEN VALUE SUM. FOR     1 -TH ITER (K=    14:    14) =       1.83686364 <eko_old-eko_new>:(  0.00000D+00  0.00000D+00  0.00000D+00)
 !iter =       1 ntcnvg =       1
 iteration_electronic =      1
 === energy_eigen_values ===
 ik =      14 (   0.250000  0.250000  0.250000 )
     -0.0628944305     -0.0257739784      0.0719973044      0.1417537207
      0.2811460997      0.3885426600      0.5092687921      0.5328234681

 << CPU Time Consumption -- TOP   0 Subroutines (    1) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
 Total cputime of (    1 )-th iteration       0.00100 /     0.438 (sec.)
 ---- iteration(total, ionic, electronic) =       63       1       2 ----
 ENERGY EIGEN VALUE SUM. FOR     2 -TH ITER (K=    14:    14) =       1.84714189 <eko_old-eko_new>:(  0.84480D-01  0.66630D-01  0.14302D+00)
 << CPU Time Consumption -- TOP   4 Subroutines (    2) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  16             m_ES_WF_in_Rspace(1)     0.00300 42.86      80       1
   2  17         decide_correction_vector     0.00300 42.86       3       2
   3  20                 prepare_Hloc_phi     0.00200 28.57       3       3
   4  21          evolve_WFs_in_subspace      0.00200 28.57       3       4
 Total cputime of (    2 )-th iteration       0.00700 /     0.445 (sec.)
 ---- iteration(total, ionic, electronic) =       64       1       3 ----
 ENERGY EIGEN VALUE SUM. FOR     3 -TH ITER (K=    14:    14) =       1.84657871 <eko_old-eko_new>:(  0.14415D-03  0.56318D-04  0.33843D-02)
 ---- iteration(total, ionic, electronic) =       65       1       4 ----
 ENERGY EIGEN VALUE SUM. FOR     4 -TH ITER (K=    14:    14) =       1.84657785 <eko_old-eko_new>:(  0.25531D-06  0.86340D-07  0.11021D-03)
 !iter =       4 ntcnvg =       1
 << CPU Time Consumption -- TOP   5 Subroutines (    4) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  17         decide_correction_vector     0.00300 37.50       3       1
   2  21          evolve_WFs_in_subspace      0.00300 37.50       3       2
   3  16             m_ES_WF_in_Rspace(1)     0.00200 25.00      80       3
   4  20                 prepare_Hloc_phi     0.00100 12.50       3       4
   5  14                 m_ES_Vnonlocal_W     0.00100 12.50       4       5
 Total cputime of (    4 )-th iteration       0.00800 /     0.460 (sec.)
 ---- iteration(total, ionic, electronic) =       66       1       5 ----
 ENERGY EIGEN VALUE SUM. FOR     5 -TH ITER (K=    14:    14) =       1.84657784 <eko_old-eko_new>:(  0.25439D-08  0.80920D-09  0.88119D-05)
 !iter =       5 ntcnvg =       2
 Wave Functions have converged at       5 -th iteration
 === energy_eigen_values ===
 ik =      14 (   0.250000  0.250000  0.250000 )
     -0.1703593052      0.0896360646      0.2041708134      0.2041708134
      0.3094287293      0.3634532984      0.3634532984      0.4826241299

 nfzaj is opened
 !D Writing WaveFunctions ik =     1
 
 ------------------------
 nk_in_the_process =     15 nk in the k_point_group =     15
 nkgroup =     15
 iteration_electronic =      0
 !kp nk, kv3, kv3_ek =     15     1    19
 !kp      1  0.3062  0.1531  0.1531  0.2500  0.3750  0.3750
 ! iba(     1) =    126,  nbase(   126,     1) =     158
!! icond, nk_in_the_process, first_kpoint_in_this_job =        2      15       0
 << CPU Time Consumption -- TOP   6 Subroutines (    0) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  20                 prepare_Hloc_phi     0.00300 33.33       3       1
   2   5              m_NLP_betar_dot_PWs     0.00200 22.22       1       2
   3  21          evolve_WFs_in_subspace      0.00200 22.22       3       3
   4  17         decide_correction_vector     0.00100 11.11       3       4
   5  15           evolve_WFs_in_subspace     0.00100 11.11       1       5
   6  16             m_ES_WF_in_Rspace(1)     0.00100 11.11      80       6
 Total cputime of (    0 )-th iteration       0.00900 /     0.469 (sec.)
 ---- iteration(total, ionic, electronic) =       67       1       1 ----
 ENERGY EIGEN VALUE SUM. FOR     1 -TH ITER (K=    15:    15) =       1.84657784 <eko_old-eko_new>:(  0.00000D+00  0.00000D+00  0.00000D+00)
 !iter =       1 ntcnvg =       1
 iteration_electronic =      1
 === energy_eigen_values ===
 ik =      15 (   0.250000  0.375000  0.375000 )
     -0.1703593052      0.0896360646      0.2041708134      0.2041708134
      0.3094287293      0.3634532984      0.3634532984      0.4826241299

 << CPU Time Consumption -- TOP   0 Subroutines (    1) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
 Total cputime of (    1 )-th iteration       0.00100 /     0.470 (sec.)
 ---- iteration(total, ionic, electronic) =       68       1       2 ----
 ENERGY EIGEN VALUE SUM. FOR     2 -TH ITER (K=    15:    15) =       1.76117366 <eko_old-eko_new>:(  0.30218D-01  0.24326D-01  0.91509D-01)
 << CPU Time Consumption -- TOP   5 Subroutines (    2) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  20                 prepare_Hloc_phi     0.00300 42.86       3       1
   2  17         decide_correction_vector     0.00200 28.57       3       2
   3  14                 m_ES_Vnonlocal_W     0.00100 14.29       4       3
   4  16             m_ES_WF_in_Rspace(1)     0.00100 14.29      80       4
   5  21          evolve_WFs_in_subspace      0.00100 14.29       3       5
 Total cputime of (    2 )-th iteration       0.00700 /     0.477 (sec.)
 ---- iteration(total, ionic, electronic) =       69       1       3 ----
 ENERGY EIGEN VALUE SUM. FOR     3 -TH ITER (K=    15:    15) =       1.76113663 <eko_old-eko_new>:(  0.70301D-05  0.37036D-05  0.10605D-02)
 !iter =       3 ntcnvg =       1
 ---- iteration(total, ionic, electronic) =       70       1       4 ----
 ENERGY EIGEN VALUE SUM. FOR     4 -TH ITER (K=    15:    15) =       1.76113661 <eko_old-eko_new>:(  0.26644D-08  0.12655D-08  0.17802D-04)
 !iter =       4 ntcnvg =       2
 Wave Functions have converged at       4 -th iteration
 === energy_eigen_values ===
 ik =      15 (   0.250000  0.375000  0.375000 )
     -0.1435795892      0.0406190425      0.1653396692      0.1730161355
      0.3182292205      0.3699214313      0.4003067466      0.4372839575

 nfzaj is opened
 !D Writing WaveFunctions ik =     1
 
 ------------------------
 nk_in_the_process =     16 nk in the k_point_group =     16
 nkgroup =     16
 iteration_electronic =      0
 !kp nk, kv3, kv3_ek =     16     1    19
 !kp      1  0.4593  0.1531  0.1531  0.2500  0.5000  0.5000
 ! iba(     1) =    121,  nbase(   121,     1) =     158
!! icond, nk_in_the_process, first_kpoint_in_this_job =        2      16       0
 << CPU Time Consumption -- TOP   5 Subroutines (    0) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  17         decide_correction_vector     0.00300 30.00       3       1
   2  21          evolve_WFs_in_subspace      0.00300 30.00       3       2
   3   5              m_NLP_betar_dot_PWs     0.00200 20.00       1       3
   4  20                 prepare_Hloc_phi     0.00100 10.00       3       4
   5  12            modified_gram_schmidt     0.00100 10.00       1       5
 Total cputime of (    0 )-th iteration       0.01000 /     0.495 (sec.)
 ---- iteration(total, ionic, electronic) =       71       1       1 ----
 ENERGY EIGEN VALUE SUM. FOR     1 -TH ITER (K=    16:    16) =       1.76113661 <eko_old-eko_new>:(  0.00000D+00  0.00000D+00  0.00000D+00)
 !iter =       1 ntcnvg =       1
 iteration_electronic =      1
 === energy_eigen_values ===
 ik =      16 (   0.250000  0.500000  0.500000 )
     -0.1435795892      0.0406190425      0.1653396692      0.1730161355
      0.3182292205      0.3699214313      0.4003067466      0.4372839575

 << CPU Time Consumption -- TOP   0 Subroutines (    1) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
 Total cputime of (    1 )-th iteration       0.00100 /     0.495 (sec.)
 ---- iteration(total, ionic, electronic) =       72       1       2 ----
 ENERGY EIGEN VALUE SUM. FOR     2 -TH ITER (K=    16:    16) =       1.74730851 <eko_old-eko_new>:(  0.34652D-01  0.28907D-01  0.96342D-01)
 << CPU Time Consumption -- TOP   3 Subroutines (    2) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  20                 prepare_Hloc_phi     0.00300 42.86       3       1
   2  21          evolve_WFs_in_subspace      0.00200 28.57       3       2
   3  14                 m_ES_Vnonlocal_W     0.00100 14.29       4       3
 Total cputime of (    2 )-th iteration       0.00700 /     0.502 (sec.)
 ---- iteration(total, ionic, electronic) =       73       1       3 ----
 ENERGY EIGEN VALUE SUM. FOR     3 -TH ITER (K=    16:    16) =       1.74727993 <eko_old-eko_new>:(  0.71547D-05  0.28575D-05  0.83475D-03)
 !iter =       3 ntcnvg =       1
 ---- iteration(total, ionic, electronic) =       74       1       4 ----
 ENERGY EIGEN VALUE SUM. FOR     4 -TH ITER (K=    16:    16) =       1.74727992 <eko_old-eko_new>:(  0.21314D-08  0.94121D-09  0.12871D-04)
 !iter =       4 ntcnvg =       2
 Wave Functions have converged at       4 -th iteration
 === energy_eigen_values ===
 ik =      16 (   0.250000  0.500000  0.500000 )
     -0.1002908989      0.0022811485      0.1018223489      0.1499360449
      0.2917158328      0.3997180516      0.4471213043      0.4549760907

 nfzaj is opened
 !D Writing WaveFunctions ik =     1
 
 ------------------------
 nk_in_the_process =     17 nk in the k_point_group =     17
 nkgroup =     17
 iteration_electronic =      0
 !kp nk, kv3, kv3_ek =     17     1    19
 !kp      1  0.3062  0.3062  0.1531  0.3750  0.3750  0.5000
 ! iba(     1) =    124,  nbase(   124,     1) =     153
!! icond, nk_in_the_process, first_kpoint_in_this_job =        2      17       0
 << CPU Time Consumption -- TOP   5 Subroutines (    0) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1   5              m_NLP_betar_dot_PWs     0.00300 27.27       1       1
   2  17         decide_correction_vector     0.00300 27.27       3       2
   3  20                 prepare_Hloc_phi     0.00200 18.18       3       3
   4  21          evolve_WFs_in_subspace      0.00200 18.18       3       4
   5  16             m_ES_WF_in_Rspace(1)     0.00100  9.09      80       5
 Total cputime of (    0 )-th iteration       0.01100 /     0.520 (sec.)
 ---- iteration(total, ionic, electronic) =       75       1       1 ----
 ENERGY EIGEN VALUE SUM. FOR     1 -TH ITER (K=    17:    17) =       1.74727992 <eko_old-eko_new>:(  0.00000D+00  0.00000D+00  0.00000D+00)
 !iter =       1 ntcnvg =       1
 iteration_electronic =      1
 === energy_eigen_values ===
 ik =      17 (   0.375000  0.375000  0.500000 )
     -0.1002908989      0.0022811485      0.1018223489      0.1499360449
      0.2917158328      0.3997180516      0.4471213043      0.4549760907

 ---- iteration(total, ionic, electronic) =       76       1       2 ----
 ENERGY EIGEN VALUE SUM. FOR     2 -TH ITER (K=    17:    17) =       1.80184208 <eko_old-eko_new>:(  0.38471D-01  0.29926D-01  0.10715D+00)
 << CPU Time Consumption -- TOP   4 Subroutines (    2) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  20                 prepare_Hloc_phi     0.00300 42.86       3       1
   2  21          evolve_WFs_in_subspace      0.00300 42.86       3       2
   3  15           evolve_WFs_in_subspace     0.00100 14.29       1       3
   4  16             m_ES_WF_in_Rspace(1)     0.00100 14.29      80       4
 Total cputime of (    2 )-th iteration       0.00700 /     0.527 (sec.)
 ---- iteration(total, ionic, electronic) =       77       1       3 ----
 ENERGY EIGEN VALUE SUM. FOR     3 -TH ITER (K=    17:    17) =       1.80008551 <eko_old-eko_new>:(  0.55057D-03  0.17566D-03  0.48824D-02)
 << CPU Time Consumption -- TOP   5 Subroutines (    3) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  16             m_ES_WF_in_Rspace(1)     0.00500 62.50      80       1
   2  17         decide_correction_vector     0.00300 37.50       3       2
   3  21          evolve_WFs_in_subspace      0.00200 25.00       3       3
   4  20                 prepare_Hloc_phi     0.00100 12.50       3       4
   5  15           evolve_WFs_in_subspace     0.00100 12.50       1       5
 Total cputime of (    3 )-th iteration       0.00800 /     0.535 (sec.)
 ---- iteration(total, ionic, electronic) =       78       1       4 ----
 ENERGY EIGEN VALUE SUM. FOR     4 -TH ITER (K=    17:    17) =       1.80007632 <eko_old-eko_new>:(  0.29049D-05  0.91900D-06  0.31792D-03)
 !iter =       4 ntcnvg =       1
 << CPU Time Consumption -- TOP   4 Subroutines (    4) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  20                 prepare_Hloc_phi     0.00300 42.86       3       1
   2  17         decide_correction_vector     0.00200 28.57       3       2
   3  14                 m_ES_Vnonlocal_W     0.00100 14.29       4       3
   4  21          evolve_WFs_in_subspace      0.00100 14.29       3       4
 Total cputime of (    4 )-th iteration       0.00700 /     0.542 (sec.)
 ---- iteration(total, ionic, electronic) =       79       1       5 ----
 ENERGY EIGEN VALUE SUM. FOR     5 -TH ITER (K=    17:    17) =       1.80007630 <eko_old-eko_new>:(  0.67317D-08  0.21289D-08  0.14901D-04)
 !iter =       5 ntcnvg =       2
 Wave Functions have converged at       5 -th iteration
 === energy_eigen_values ===
 ik =      17 (   0.375000  0.375000  0.500000 )
     -0.1206266646      0.0003856699      0.1419899540      0.1849481555
      0.3251273544      0.3689924277      0.3777140495      0.5215453541

 nfzaj is opened
 !D Writing WaveFunctions ik =     1
 
 ------------------------
 nk_in_the_process =     18 nk in the k_point_group =     18
 nkgroup =     18
 iteration_electronic =      0
 !kp nk, kv3, kv3_ek =     18     1    19
 !kp      1  0.4593  0.3062  0.1531  0.3750  0.5000  0.6250
 ! iba(     1) =    122,  nbase(   122,     1) =     172
!! icond, nk_in_the_process, first_kpoint_in_this_job =        2      18       0
 << CPU Time Consumption -- TOP   5 Subroutines (    0) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  20                 prepare_Hloc_phi     0.00300 33.33       3       1
   2  21          evolve_WFs_in_subspace      0.00300 33.33       3       2
   3   5              m_NLP_betar_dot_PWs     0.00200 22.22       1       3
   4  15           evolve_WFs_in_subspace     0.00100 11.11       1       4
   5  16             m_ES_WF_in_Rspace(1)     0.00100 11.11      80       5
 Total cputime of (    0 )-th iteration       0.00900 /     0.552 (sec.)
 ---- iteration(total, ionic, electronic) =       80       1       1 ----
 ENERGY EIGEN VALUE SUM. FOR     1 -TH ITER (K=    18:    18) =       1.80007630 <eko_old-eko_new>:(  0.00000D+00  0.00000D+00  0.00000D+00)
 !iter =       1 ntcnvg =       1
 iteration_electronic =      1
 === energy_eigen_values ===
 ik =      18 (   0.375000  0.500000  0.625000 )
     -0.1206266646      0.0003856699      0.1419899540      0.1849481555
      0.3251273544      0.3689924277      0.3777140495      0.5215453541

 << CPU Time Consumption -- TOP   0 Subroutines (    1) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
 Total cputime of (    1 )-th iteration       0.00100 /     0.552 (sec.)
 ---- iteration(total, ionic, electronic) =       81       1       2 ----
 ENERGY EIGEN VALUE SUM. FOR     2 -TH ITER (K=    18:    18) =       1.80559558 <eko_old-eko_new>:(  0.32410D-01  0.24910D-01  0.92846D-01)
 << CPU Time Consumption -- TOP   5 Subroutines (    2) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  20                 prepare_Hloc_phi     0.00300 42.86       3       1
   2  21          evolve_WFs_in_subspace      0.00200 28.57       3       2
   3  17         decide_correction_vector     0.00100 14.29       3       3
   4  14                 m_ES_Vnonlocal_W     0.00100 14.29       4       4
   5  16             m_ES_WF_in_Rspace(1)     0.00100 14.29      80       5
 Total cputime of (    2 )-th iteration       0.00700 /     0.559 (sec.)
 ---- iteration(total, ionic, electronic) =       82       1       3 ----
 ENERGY EIGEN VALUE SUM. FOR     3 -TH ITER (K=    18:    18) =       1.80544005 <eko_old-eko_new>:(  0.44281D-04  0.15552D-04  0.17862D-02)
 ---- iteration(total, ionic, electronic) =       83       1       4 ----
 ENERGY EIGEN VALUE SUM. FOR     4 -TH ITER (K=    18:    18) =       1.80543971 <eko_old-eko_new>:(  0.10041D-06  0.34062D-07  0.73046D-04)
 !iter =       4 ntcnvg =       1
 << CPU Time Consumption -- TOP   5 Subroutines (    4) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  17         decide_correction_vector     0.00300 37.50       3       1
   2  21          evolve_WFs_in_subspace      0.00300 37.50       3       2
   3  15           evolve_WFs_in_subspace     0.00100 12.50       1       3
   4  20                 prepare_Hloc_phi     0.00100 12.50       3       4
   5  16             m_ES_WF_in_Rspace(1)     0.00100 12.50      80       5
 Total cputime of (    4 )-th iteration       0.00800 /     0.574 (sec.)
 ---- iteration(total, ionic, electronic) =       84       1       5 ----
 ENERGY EIGEN VALUE SUM. FOR     5 -TH ITER (K=    18:    18) =       1.80543971 <eko_old-eko_new>:(  0.44342D-09  0.14705D-09  0.37481D-05)
 !iter =       5 ntcnvg =       2
 Wave Functions have converged at       5 -th iteration
 === energy_eigen_values ===
 ik =      18 (   0.375000  0.500000  0.625000 )
     -0.0946630828     -0.0134771134      0.1055590545      0.1517867928
      0.3499156176      0.3505104886      0.4542572746      0.5015506777

 nfzaj is opened
 !D Writing WaveFunctions ik =     1
 
 ------------------------
 nk_in_the_process =     19 nk in the k_point_group =     19
 nkgroup =     19
 iteration_electronic =      0
 !kp nk, kv3, kv3_ek =     19     1    19
 !kp      1  0.3062  0.3062  0.3062  0.5000  0.5000  0.5000
 ! iba(     1) =    120,  nbase(   120,     1) =     152
!! icond, nk_in_the_process, first_kpoint_in_this_job =        2      19       0
 << CPU Time Consumption -- TOP   6 Subroutines (    0) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1   5              m_NLP_betar_dot_PWs     0.00300 33.33       1       1
   2  16             m_ES_WF_in_Rspace(1)     0.00200 22.22      80       2
   3  20                 prepare_Hloc_phi     0.00200 22.22       3       3
   4  21          evolve_WFs_in_subspace      0.00200 22.22       3       4
   5  14                 m_ES_Vnonlocal_W     0.00100 11.11       4       5
   6  17         decide_correction_vector     0.00100 11.11       3       6
 Total cputime of (    0 )-th iteration       0.00900 /     0.583 (sec.)
 ---- iteration(total, ionic, electronic) =       85       1       1 ----
 ENERGY EIGEN VALUE SUM. FOR     1 -TH ITER (K=    19:    19) =       1.80543971 <eko_old-eko_new>:(  0.00000D+00  0.00000D+00  0.00000D+00)
 !iter =       1 ntcnvg =       1
 iteration_electronic =      1
 === energy_eigen_values ===
 ik =      19 (   0.500000  0.500000  0.500000 )
     -0.0946630828     -0.0134771134      0.1055590545      0.1517867928
      0.3499156176      0.3505104886      0.4542572746      0.5015506777

 ---- iteration(total, ionic, electronic) =       86       1       2 ----
 ENERGY EIGEN VALUE SUM. FOR     2 -TH ITER (K=    19:    19) =       1.76518028 <eko_old-eko_new>:(  0.45327D-01  0.31140D-01  0.98411D-01)
 << CPU Time Consumption -- TOP   7 Subroutines (    2) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  17         decide_correction_vector     0.00200 28.57       3       1
   2  20                 prepare_Hloc_phi     0.00200 28.57       3       2
   3  21          evolve_WFs_in_subspace      0.00200 28.57       3       3
   4  18  orthogonalize_SD_drctns(Mddavid)    0.00100 14.29       3       4
   5  19       m_ES_orthogonal_phi_to_WFs     0.00100 14.29       3       5
   6  16             m_ES_WF_in_Rspace(1)     0.00100 14.29      80       6
   7  15           evolve_WFs_in_subspace     0.00100 14.29       1       7
 Total cputime of (    2 )-th iteration       0.00700 /     0.590 (sec.)
 ---- iteration(total, ionic, electronic) =       87       1       3 ----
 ENERGY EIGEN VALUE SUM. FOR     3 -TH ITER (K=    19:    19) =       1.76507884 <eko_old-eko_new>:(  0.29386D-04  0.10144D-04  0.14291D-02)
 << CPU Time Consumption -- TOP   5 Subroutines (    3) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  17         decide_correction_vector     0.00300 37.50       3       1
   2  21          evolve_WFs_in_subspace      0.00300 37.50       3       2
   3  13                    betar_dot_Psi     0.00100 12.50       5       3
   4  20                 prepare_Hloc_phi     0.00100 12.50       3       4
   5  16             m_ES_WF_in_Rspace(1)     0.00100 12.50      80       5
 Total cputime of (    3 )-th iteration       0.00800 /     0.598 (sec.)
 ---- iteration(total, ionic, electronic) =       88       1       4 ----
 ENERGY EIGEN VALUE SUM. FOR     4 -TH ITER (K=    19:    19) =       1.76507854 <eko_old-eko_new>:(  0.92964D-07  0.29554D-07  0.58918D-04)
 !iter =       4 ntcnvg =       1
 << CPU Time Consumption -- TOP   3 Subroutines (    4) >>
  no  id           subroutine name          time(sec)  r(%)    count   no(2)
   1  20                 prepare_Hloc_phi     0.00300 42.86       3       1
   2  21          evolve_WFs_in_subspace      0.00200 28.57       3       2
   3  17         decide_correction_vector     0.00100 14.29       3       3
 Total cputime of (    4 )-th iteration       0.00700 /     0.605 (sec.)
 ---- iteration(total, ionic, electronic) =       89       1       5 ----
 ENERGY EIGEN VALUE SUM. FOR     5 -TH ITER (K=    19:    19) =       1.76507854 <eko_old-eko_new>:(  0.29188D-09  0.92371D-10  0.30729D-05)
 !iter =       5 ntcnvg =       2
 Wave Functions have converged at       5 -th iteration
 === energy_eigen_values ===
 ik =      19 (   0.500000  0.500000  0.500000 )
     -0.1127423674     -0.0224436959      0.1874782276      0.1874782276
      0.2969766435      0.3584030952      0.3584030952      0.5115253162

 nfzaj is opened
 !D Writing WaveFunctions ik =     1
 All kpoints have been calculated 
 ! totch =       8.00000000
 !  totch, efermi      =       8.00000000      0.0000000000  <<Postprocessing>>
  ---        dos for each band, each spin ---
     4 0.000000     5 0.000000     6 0.000000
  --- occupation for each band, each spin ---
     4 1.000000     5 0.000000     6 0.000000
  -------------------------------------------
 i0 =        3
 --- The system is insulating or semiconducting ---
 --- The highest  occupied band energy (=vbm) =   0.23384647
         lowest unoccupied band energy (=cbm) =   0.25768202
                           estimated band gap =   0.02383555 Ha   (   0.64859865 eV )
 
 --- The system is insulating or semiconducting ---
 --- The highest  occupied band energy (=vbm) =   0.23384647
         lowest unoccupied band energy (=cbm) =   0.25768202
                           estimated band gap =   0.02383555 Ha   (   0.64859865 eV )
 
 F_DOS      = ./dos.data , newly opened  
 dos_method_act = TETRAHEDRON
 !dos eko_ek 
 !dos -- ik =     1
 !dos  -0.1966  0.2338  0.2338  0.2338  0.3273  0.3273  0.3273  0.3578
 !dos   0.5203  0.5355
 !dos -- ik =     2
 !dos  -0.1900  0.1857  0.2025  0.2025  0.3075  0.3702  0.3702  0.3943
 !dos   0.4830  0.5468
 !dos -- ik =     3
 !dos  -0.1611  0.1078  0.1618  0.1618  0.2754  0.3515  0.4470  0.4470
 !dos   0.5287  0.5809
 !dos -- ik =     4
 !dos  -0.1127  0.0267  0.1350  0.1350  0.2577  0.2927  0.5332  0.5332
 !dos   0.6204  0.6382
 !dos -- ik =     5
 !dos  -0.0484 -0.0484  0.1258  0.1258  0.2620  0.2620  0.6015  0.6015
 !dos   0.6671  0.6694
 !dos -- ik =     6
 !dos  -0.1796  0.1359  0.1720  0.2220  0.3462  0.3482  0.3582  0.4366
 !dos   0.4794  0.5389
 !dos -- ik =     7
 !dos  -0.1519  0.0782  0.1317  0.1793  0.3236  0.3786  0.3906  0.4373
 !dos   0.5269  0.6170
 !dos -- ik =     8
 !dos  -0.1055  0.0187  0.1073  0.1294  0.3063  0.3332  0.4480  0.5302
 !dos   0.6151  0.6168
 !dos -- ik =     9
 !dos  -0.0456 -0.0456  0.1051  0.1051  0.3081  0.3081  0.5255  0.5255
 !dos   0.6348  0.6348
 !dos -- ik =    10
 !dos  -0.1256  0.0352  0.0929  0.1827  0.3258  0.4103  0.4255  0.4573
 !dos   0.4834  0.5896
 !dos -- ik =    11
 !dos  -0.0857 -0.0025  0.0750  0.1361  0.3413  0.4032  0.4286  0.4955
 !dos   0.5266  0.5819
 !dos -- ik =    12
 !dos  -0.0410 -0.0410  0.0887  0.0887  0.3933  0.3933  0.4205  0.4205
 !dos   0.6335  0.6335
 !dos -- ik =    13
 !dos  -0.0629 -0.0258  0.0720  0.1418  0.2811  0.3885  0.5093  0.5328
 !dos   0.5373  0.5638
 !dos -- ik =    14
 !dos  -0.1704  0.0896  0.2042  0.2042  0.3094  0.3635  0.3635  0.4826
 !dos   0.5099  0.5099
 !dos -- ik =    15
 !dos  -0.1436  0.0406  0.1653  0.1730  0.3182  0.3699  0.4003  0.4373
 !dos   0.5769  0.5920
 !dos -- ik =    16
 !dos  -0.1003  0.0023  0.1018  0.1499  0.2917  0.3997  0.4471  0.4550
 !dos   0.6103  0.6389
 !dos -- ik =    17
 !dos  -0.1206  0.0004  0.1420  0.1849  0.3251  0.3690  0.3777  0.5215
 !dos   0.5426  0.5745
 !dos -- ik =    18
 !dos  -0.0947 -0.0135  0.1056  0.1518  0.3499  0.3505  0.4543  0.5016
 !dos   0.5061  0.6353
 !dos -- ik =    19
 !dos  -0.1127 -0.0224  0.1875  0.1875  0.2970  0.3584  0.3584  0.5115
 !dos   0.6453  0.6494
 ValenceBandMaximum = vbm =       0.2338 total_charge =       8.0000 (m_ES_dos.get_VBM)
 n_sub_names =    23 num_subroutines_statistics =     0
 <<Total elapsed CPU Time until now =     1.57000 (sec.)>>
 F_CNTN     = ./continue.data , newly opened  
 ======  Energy Eigen Values ======
 nk_converged =       19
     1      0.0000000000      0.0000000000      0.0000000000
     2      0.0000000000      0.1250000000      0.1250000000
     3      0.0000000000      0.2500000000      0.2500000000
     4      0.0000000000      0.3750000000      0.3750000000
     5      0.0000000000      0.5000000000      0.5000000000
     6      0.1250000000      0.1250000000      0.2500000000
     7      0.1250000000      0.2500000000      0.3750000000
     8      0.1250000000      0.3750000000      0.5000000000
     9      0.1250000000      0.5000000000      0.6250000000
    10      0.2500000000      0.2500000000      0.5000000000
    11      0.2500000000      0.3750000000      0.6250000000
    12      0.2500000000      0.5000000000      0.7500000000
    13      0.3750000000      0.3750000000      0.7500000000
    14      0.2500000000      0.2500000000      0.2500000000
    15      0.2500000000      0.3750000000      0.3750000000
    16      0.2500000000      0.5000000000      0.5000000000
    17      0.3750000000      0.3750000000      0.5000000000
    18      0.3750000000      0.5000000000      0.6250000000
    19      0.5000000000      0.5000000000      0.5000000000
 -----
     1      0.0000000000      0.0000000000      0.0000000000
     -0.19659117      0.23384647      0.23384647      0.23384647      0.32729440
      0.32729440      0.32729440      0.35784456
     2      0.0000000000      0.1250000000      0.1250000000
     -0.19001756      0.18570633      0.20247361      0.20247361      0.30745772
      0.37016129      0.37016129      0.39426231
     3      0.0000000000      0.2500000000      0.2500000000
     -0.16105494      0.10776784      0.16180381      0.16180381      0.27541285
      0.35153388      0.44698383      0.44698383
     4      0.0000000000      0.3750000000      0.3750000000
     -0.11273826      0.02670787      0.13501340      0.13501340      0.25768202
      0.29274966      0.53322432      0.53322432
     5      0.0000000000      0.5000000000      0.5000000000
     -0.04843240     -0.04843240      0.12580955      0.12580955      0.26195558
      0.26195558      0.60152858      0.60152872
     6      0.1250000000      0.1250000000      0.2500000000
     -0.17962361      0.13593033      0.17204163      0.22198154      0.34622317
      0.34820042      0.35816336      0.43664154
     7      0.1250000000      0.2500000000      0.3750000000
     -0.15186003      0.07816425      0.13172280      0.17934351      0.32359545
      0.37860601      0.39059320      0.43731731
     8      0.1250000000      0.3750000000      0.5000000000
     -0.10554466      0.01870198      0.10730969      0.12940570      0.30626318
      0.33320062      0.44797014      0.53020205
     9      0.1250000000      0.5000000000      0.6250000000
     -0.04559974     -0.04559974      0.10509332      0.10509332      0.30809710
      0.30809710      0.52552619      0.52552619
    10      0.2500000000      0.2500000000      0.5000000000
     -0.12558087      0.03521850      0.09292522      0.18267832      0.32578965
      0.41031423      0.42552005      0.45728373
    11      0.2500000000      0.3750000000      0.6250000000
     -0.08567533     -0.00254510      0.07503165      0.13609188      0.34130782
      0.40323820      0.42855872      0.49550348
    12      0.2500000000      0.5000000000      0.7500000000
     -0.04099440     -0.04099440      0.08871709      0.08871709      0.39333732
      0.39333732      0.42054680      0.42054680
    13      0.3750000000      0.3750000000      0.7500000000
     -0.06289443     -0.02577398      0.07199730      0.14175372      0.28114610
      0.38854266      0.50926879      0.53282347
    14      0.2500000000      0.2500000000      0.2500000000
     -0.17035931      0.08963606      0.20417081      0.20417081      0.30942873
      0.36345330      0.36345330      0.48262413
    15      0.2500000000      0.3750000000      0.3750000000
     -0.14357959      0.04061904      0.16533967      0.17301614      0.31822922
      0.36992143      0.40030675      0.43728396
    16      0.2500000000      0.5000000000      0.5000000000
     -0.10029090      0.00228115      0.10182235      0.14993604      0.29171583
      0.39971805      0.44712130      0.45497609
    17      0.3750000000      0.3750000000      0.5000000000
     -0.12062666      0.00038567      0.14198995      0.18494816      0.32512735
      0.36899243      0.37771405      0.52154535
    18      0.3750000000      0.5000000000      0.6250000000
     -0.09466308     -0.01347711      0.10555905      0.15178679      0.34991562
      0.35051049      0.45425727      0.50155068
    19      0.5000000000      0.5000000000      0.5000000000
     -0.11274237     -0.02244370      0.18747823      0.18747823      0.29697664
      0.35840310      0.35840310      0.51152532
 All kpoints have been calculated 
  ---        dos for each band, each spin ---
     4 0.000000     5 0.000000     6 0.000000
  --- occupation for each band, each spin ---
     4 1.000000     5 0.000000     6 0.000000
  -------------------------------------------
 i0 =        3
 --- The system is insulating or semiconducting ---
 --- The highest  occupied band energy (=vbm) =   0.23384647
         lowest unoccupied band energy (=cbm) =   0.25768202
                           estimated band gap =   0.02383555 Ha   (   0.64859865 eV )
 
 --- efermi =   0.2458
  -- WDonFiles_ek -
 eko(   1,  1)=  -0.112742E+00 (Re) -0.680646E+00  0.680646E+00 -0.786989E-01 -0.786989E-01 -0.786989E-01
                               (Im)  0.719080E-01 -0.719080E-01  0.831428E-02  0.831428E-02  0.831428E-02
 eko(   2,  1)=  -0.224437E-01 (Re) -0.637437E+00 -0.637437E+00 -0.139911E+00 -0.139911E+00 -0.139911E+00
                               (Im)  0.693078E-01  0.693078E-01  0.152124E-01  0.152124E-01  0.152124E-01
 eko(   3,  1)=   0.187478E+00 (Re) -0.183604E-10  0.349810E-11  0.468535E+00 -0.471217E+00  0.268277E-02
                               (Im)  0.333776E-11 -0.838731E-12 -0.901890E-01  0.746106E-01  0.155784E-01
 eko(   4,  1)=   0.187478E+00 (Re) -0.107783E-11 -0.499796E-11 -0.271919E+00 -0.275187E+00  0.547106E+00
                               (Im) -0.979421E-12  0.864217E-12  0.456289E-01  0.184449E-01 -0.640737E-01
 eko(   5,  1)=   0.296977E+00 (Re) -0.208984E+00 -0.208984E+00  0.371047E+00  0.371047E+00  0.371047E+00
                               (Im)  0.222726E-01  0.222726E-01 -0.395446E-01 -0.395446E-01 -0.395446E-01
 eko(   6,  1)=   0.358403E+00 (Re) -0.143040E-09 -0.847227E-10  0.488336E+00 -0.421404E+00 -0.669317E-01
                               (Im)  0.113980E-11  0.152747E-11 -0.342340E-02  0.145328E-02  0.197012E-02
 eko(   7,  1)=   0.358403E+00 (Re) -0.204798E-09 -0.331503E-09  0.203346E+00  0.318933E+00 -0.522279E+00
                               (Im)  0.209663E-10  0.359300E-10 -0.231088E-01 -0.326400E-01  0.557488E-01
 eko(   8,  1)=   0.511525E+00 (Re) -0.133718E+00  0.133718E+00  0.377174E+00  0.377174E+00  0.377174E+00
                               (Im)  0.141608E-01 -0.141608E-01 -0.399430E-01 -0.399429E-01 -0.399430E-01
 eko(   9,  1)=   0.645270E+00 (Re) -0.172698E+00 -0.173467E+00  0.906165E-02  0.125251E-01  0.948762E-01
                               (Im)  0.179253E-01  0.180045E-01 -0.942160E-03 -0.130033E-02 -0.984748E-02
 eko(  10,  1)=   0.649392E+00 (Re) -0.296536E-03 -0.870614E-03 -0.477266E-01  0.118605E+00 -0.725839E-01
                               (Im)  0.316831E-04  0.927184E-04  0.508250E-02 -0.126311E-01  0.772993E-02
 <<Total CPU TIME (elapsed time) =         1.57000 (sec.)>>
  closed filenumber =           55
  closed filenumber =           42
  closed filenumber =           43
  closed filenumber =           44
  closed filenumber =           59
  closed filenumber =           75
  closed filenumber =           65
 
------------------------------------------------------------------------
PHASE/0 terminated at 16:28:57  13/ 4/2021 reason: 
W     W  FFFFFFF    CCCCC   OOOOOOO  N     N  V     V 
W  W  W  F         C     C  O     O  NN    N  V     V 
W  W  W  F         C        O     O  N N   N  V     V 
W  W  W  FFFFF     C        O     O  N  N  N  V     V 
W  W  W  F         C        O     O  N   N N   V   V  
W  W  W  F         C     C  O     O  N    NN    V V   
 WW WW   F          CCCCC   OOOOOOO  N     N     V    
------------------------------------------------------------------------
