program start     09:18:31  13/06/2012                                          
 npes =      1 << m_Parallel_get_nproc_from_arg>>
 set default ne and nk
 ne, nk =            1           1
 nrank_e =   1
 nrank_k =   1
 success in grabbing the license(s).
 
 asms/PHASE ver. 0.99
 @(#)system=Windows (x64)                                                
 
 FFILENAMES = ./file_names.data , newly opened  
 !! mpifiletypes is not read
 F_POT(1) = ../../../../../data/pseudopotential/Si_ldapw91_nc_02.pp     
 --- existance check of continue files ---
 F_CNTN     (= ./continue.data ) not existing
 F_CNTN_BIN (= ./continue_bin.data ) not existing
 F_ZAJ      (= ./nfzaj.data ) not existing
 F_CHGT     (= ./nfchgt.data ) not existing
 contfiles  (= continue files ) not existing
 3contfiles (= 3continue files ) not existing
 -----------------------------------------
 F_INP      = ./nfinp.data , newly opened  
 F_DYNM     = ./nfdynm.data , newly opened  
 F_ENF      = ./nfefn.data , newly opened  
 !*--- input-file style = NEW
 !!  F_INP = ./nfinp.data                    
 !** driver = general
 !** condition = initial                        icond =        0
 !** continuation_using_ppdata =     0
 !** sw_use_wfred =   0
 !** MGS_DGEMM is defined
 !** NONLOCAL_DGEMM is defined
 !** SUBMAT_DGEMM is defined
 !** FORCE_DGEMM is defined
 !** sw_ekzaj =          0
 !** cpumax =             3600.00000000 (sec)
 !** max_iteration =      10000
 !** nfstopcheck =          1
 !** multiple_replica_mode =          0
 !** sw_ekzaj =          0
 !** gmax =   3.0000
 !** gmaxp =   6.0000
 !** fftsize_factor_gmaxp =   1.0000
 !** gmaxp_reduced        =   6.0000
 !** initial_chg = 
 !** --- 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
 !** --- id, sol, till_n,  dts, dte, itr, var, prec, cmix, submat ---
 !**      - for_init_str -
 !**   1  11    -1  0.200  0.200 100  0  1  1  1
 !** n_Charge_Mixing_way =     1
 !** sw_recomposing =     1
 !** spin_density_mixfactor =   1.0000
 !** --- id, method, rmxs, rmxe, itr, var, prec, istr, nbxmix, update ---
 !**        1     1  0.500  0.500  100    0    1    1    0    2
 !** sw_phonon =            0
 !** imag =      0
 !** imag, nspin, af =      0     1     0 <<m_CtrlP_set_nspin_and_af>>
 !** inversion_symmetry =      0
 !** symmetry_check_criterion =       0.10000000D-11
 !** symmetry_method =     -2
 !*  tag_crystal is found
 !** nbztyp_spg =      5
 !** il =      2<<m_CS_set_default_symm_op>>
 !** 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
 !** 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
 !** 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  51577.5000  0.0000  0.1500  0.0000   Si  
 !** === 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  
 !**   ia, ionic_mass 
 !**    1          51577.50000
 !**    2          51577.50000
 !** base_reduction_for_GAMMA =   1 (=default value) <<m_Kp_rd_n>>
 !** base_symmetrization_for_GAMMA =   1 (=default value) <<m_Kp_rd_n>>
 !** a method of sampling is not defined in the accuracy block <<m_Kp_rd_n>>
<< Monkhorst-Pack scheme
 MP index:   4   4   4
 kp shift:    0.50000    0.50000    0.50000
 il =   2
 use_trs =   1
   Monkhorst-Pack scheme >>
 
 <***   PAW one center integral   ***>
 1-th element : Si : sphericalharmonicsexpansion : dnr =  1
 F_INP      = ./nfinp.data , newly opened  
 --- check of file_names ---
 F_INP      = ./nfinp.data
 F_POT(1)   = ../../../../../data/pseudopotential/Si_ldapw91_nc_02.pp
 F_POT(2)   = ./fort.38
 F_POT(3)   = ./fort.39
 F_KPOINT   = ./kpoint.data
 F_CHGT     = ./nfchgt.data
 F_CNTN     = ./continue.data
 F_CNTN_BIN = ./continue_bin.data
 F_ZAJ      = ./nfzaj.data
 F_STOP     = ./nfstop.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
 -- af =      0 <m_CtrlP_set_af>
  << 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
    
 a, b, c =   10.260000   10.260000   10.260000
ca,cb,cc =    0.000000    0.000000    0.000000
 TR B->P
               0.000000       0.500000       0.500000
               0.500000       0.000000       0.500000
               0.500000       0.500000       0.000000
 TR P->B
              -1.000000       1.000000       1.000000
               1.000000      -1.000000       1.000000
               1.000000       1.000000      -1.000000
 Bravais lattice
              10.260000       0.000000       0.000000
               0.000000      10.260000       0.000000
               0.000000       0.000000      10.260000
 OPERATION MATRIX ( Bravais lattice )
           1 e    
           1   0   0    0.0000
           0   1   0    0.0000
           0   0   1    0.0000
           2 c2x  
           1   0   0    0.0000
           0  -1   0    0.2500
           0   0  -1    0.2500
           3 c2y  
          -1   0   0    0.2500
           0   1   0    0.0000
           0   0  -1    0.2500
           4 c2z  
          -1   0   0    0.2500
           0  -1   0    0.2500
           0   0   1    0.0000
           5 c31+ 
           0   0   1    0.0000
           1   0   0    0.0000
           0   1   0    0.0000
           6 c32+ 
           0   0  -1    0.2500
           1   0   0    0.0000
           0  -1   0    0.2500
           7 c33+ 
           0   0  -1    0.2500
          -1   0   0    0.2500
           0   1   0    0.0000
           8 c34+ 
           0   0   1    0.0000
          -1   0   0    0.2500
           0  -1   0    0.2500
           9 c31- 
           0   1   0    0.0000
           0   0   1    0.0000
           1   0   0    0.0000
          10 c32- 
           0   1   0    0.0000
           0   0  -1    0.2500
          -1   0   0    0.2500
          11 c33- 
           0  -1   0    0.2500
           0   0   1    0.0000
          -1   0   0    0.2500
          12 c34- 
           0  -1   0    0.2500
           0   0  -1    0.2500
           1   0   0    0.0000
          13 c2a  
           0   1   0    0.2500
           1   0   0    0.2500
           0   0  -1    0.0000
          14 c2b  
           0  -1   0    0.0000
          -1   0   0    0.0000
           0   0  -1    0.0000
          15 c2c  
           0   0   1    0.2500
           0  -1   0    0.0000
           1   0   0    0.2500
          16 c2d  
          -1   0   0    0.0000
           0   0   1    0.2500
           0   1   0    0.2500
          17 c2e  
           0   0  -1    0.0000
           0  -1   0    0.0000
          -1   0   0    0.0000
          18 c2f  
          -1   0   0    0.0000
           0   0  -1    0.0000
           0  -1   0    0.0000
          19 c4x+ 
           1   0   0    0.2500
           0   0  -1    0.0000
           0   1   0    0.2500
          20 c4y+ 
           0   0   1    0.2500
           0   1   0    0.2500
          -1   0   0    0.0000
          21 c4z+ 
           0  -1   0    0.0000
           1   0   0    0.2500
           0   0   1    0.2500
          22 c4x- 
           1   0   0    0.2500
           0   0   1    0.2500
           0  -1   0    0.0000
          23 c4y- 
           0   0  -1    0.0000
           0   1   0    0.2500
           1   0   0    0.2500
          24 c4z- 
           0   1   0    0.2500
          -1   0   0    0.0000
           0   0   1    0.2500
          25 ie   
          -1   0   0    0.0000
           0  -1   0    0.0000
           0   0  -1    0.0000
          26 ic2x 
          -1   0   0    0.0000
           0   1   0    0.2500
           0   0   1    0.2500
          27 ic2y 
           1   0   0    0.2500
           0  -1   0    0.0000
           0   0   1    0.2500
          28 ic2z 
           1   0   0    0.2500
           0   1   0    0.2500
           0   0  -1    0.0000
          29 ic31+
           0   0  -1    0.0000
          -1   0   0    0.0000
           0  -1   0    0.0000
          30 ic32+
           0   0   1    0.2500
          -1   0   0    0.0000
           0   1   0    0.2500
          31 ic33+
           0   0   1    0.2500
           1   0   0    0.2500
           0  -1   0    0.0000
          32 ic34+
           0   0  -1    0.0000
           1   0   0    0.2500
           0   1   0    0.2500
          33 ic31-
           0  -1   0    0.0000
           0   0  -1    0.0000
          -1   0   0    0.0000
          34 ic32-
           0  -1   0    0.0000
           0   0   1    0.2500
           1   0   0    0.2500
          35 ic33-
           0   1   0    0.2500
           0   0  -1    0.0000
           1   0   0    0.2500
          36 ic34-
           0   1   0    0.2500
           0   0   1    0.2500
          -1   0   0    0.0000
          37 ic2a 
           0  -1   0    0.2500
          -1   0   0    0.2500
           0   0   1    0.0000
          38 ic2b 
           0   1   0    0.0000
           1   0   0    0.0000
           0   0   1    0.0000
          39 ic2c 
           0   0  -1    0.2500
           0   1   0    0.0000
          -1   0   0    0.2500
          40 ic2d 
           1   0   0    0.0000
           0   0  -1    0.2500
           0  -1   0    0.2500
          41 ic2e 
           0   0   1    0.0000
           0   1   0    0.0000
           1   0   0    0.0000
          42 ic2f 
           1   0   0    0.0000
           0   0   1    0.0000
           0   1   0    0.0000
          43 ic4x+
          -1   0   0    0.2500
           0   0   1    0.0000
           0  -1   0    0.2500
          44 ic4y+
           0   0  -1    0.2500
           0  -1   0    0.2500
           1   0   0    0.0000
          45 ic4z+
           0   1   0    0.0000
          -1   0   0    0.2500
           0   0  -1    0.2500
          46 ic4x-
          -1   0   0    0.2500
           0   0  -1    0.2500
           0   1   0    0.0000
          47 ic4y-
           0   0   1    0.0000
           0  -1   0    0.2500
          -1   0   0    0.2500
          48 ic4z-
           0  -1   0    0.2500
           1   0   0    0.0000
           0   0  -1    0.2500
 OPERATION MATRIX ( Cartesian coodinates )
           1 e    
             1.00000     0.00000     0.00000          0.00000
             0.00000     1.00000     0.00000          0.00000
             0.00000     0.00000     1.00000          0.00000
           2 c2x  
             1.00000     0.00000     0.00000          0.00000
             0.00000    -1.00000     0.00000          2.56500
             0.00000     0.00000    -1.00000          2.56500
           3 c2y  
            -1.00000     0.00000     0.00000          2.56500
             0.00000     1.00000     0.00000          0.00000
             0.00000     0.00000    -1.00000          2.56500
           4 c2z  
            -1.00000     0.00000     0.00000          2.56500
             0.00000    -1.00000     0.00000          2.56500
             0.00000     0.00000     1.00000          0.00000
           5 c31+ 
             0.00000     0.00000     1.00000          0.00000
             1.00000     0.00000     0.00000          0.00000
             0.00000     1.00000     0.00000          0.00000
           6 c32+ 
             0.00000     0.00000    -1.00000          2.56500
             1.00000     0.00000     0.00000          0.00000
             0.00000    -1.00000     0.00000          2.56500
           7 c33+ 
             0.00000     0.00000    -1.00000          2.56500
            -1.00000     0.00000     0.00000          2.56500
             0.00000     1.00000     0.00000          0.00000
           8 c34+ 
             0.00000     0.00000     1.00000          0.00000
            -1.00000     0.00000     0.00000          2.56500
             0.00000    -1.00000     0.00000          2.56500
           9 c31- 
             0.00000     1.00000     0.00000          0.00000
             0.00000     0.00000     1.00000          0.00000
             1.00000     0.00000     0.00000          0.00000
          10 c32- 
             0.00000     1.00000     0.00000          0.00000
             0.00000     0.00000    -1.00000          2.56500
            -1.00000     0.00000     0.00000          2.56500
          11 c33- 
             0.00000    -1.00000     0.00000          2.56500
             0.00000     0.00000     1.00000          0.00000
            -1.00000     0.00000     0.00000          2.56500
          12 c34- 
             0.00000    -1.00000     0.00000          2.56500
             0.00000     0.00000    -1.00000          2.56500
             1.00000     0.00000     0.00000          0.00000
          13 c2a  
             0.00000     1.00000     0.00000          2.56500
             1.00000     0.00000     0.00000          2.56500
             0.00000     0.00000    -1.00000          0.00000
          14 c2b  
             0.00000    -1.00000     0.00000          0.00000
            -1.00000     0.00000     0.00000          0.00000
             0.00000     0.00000    -1.00000          0.00000
          15 c2c  
             0.00000     0.00000     1.00000          2.56500
             0.00000    -1.00000     0.00000          0.00000
             1.00000     0.00000     0.00000          2.56500
          16 c2d  
            -1.00000     0.00000     0.00000          0.00000
             0.00000     0.00000     1.00000          2.56500
             0.00000     1.00000     0.00000          2.56500
          17 c2e  
             0.00000     0.00000    -1.00000          0.00000
             0.00000    -1.00000     0.00000          0.00000
            -1.00000     0.00000     0.00000          0.00000
          18 c2f  
            -1.00000     0.00000     0.00000          0.00000
             0.00000     0.00000    -1.00000          0.00000
             0.00000    -1.00000     0.00000          0.00000
          19 c4x+ 
             1.00000     0.00000     0.00000          2.56500
             0.00000     0.00000    -1.00000          0.00000
             0.00000     1.00000     0.00000          2.56500
          20 c4y+ 
             0.00000     0.00000     1.00000          2.56500
             0.00000     1.00000     0.00000          2.56500
            -1.00000     0.00000     0.00000          0.00000
          21 c4z+ 
             0.00000    -1.00000     0.00000          0.00000
             1.00000     0.00000     0.00000          2.56500
             0.00000     0.00000     1.00000          2.56500
          22 c4x- 
             1.00000     0.00000     0.00000          2.56500
             0.00000     0.00000     1.00000          2.56500
             0.00000    -1.00000     0.00000          0.00000
          23 c4y- 
             0.00000     0.00000    -1.00000          0.00000
             0.00000     1.00000     0.00000          2.56500
             1.00000     0.00000     0.00000          2.56500
          24 c4z- 
             0.00000     1.00000     0.00000          2.56500
            -1.00000     0.00000     0.00000          0.00000
             0.00000     0.00000     1.00000          2.56500
          25 ie   
            -1.00000     0.00000     0.00000          0.00000
             0.00000    -1.00000     0.00000          0.00000
             0.00000     0.00000    -1.00000          0.00000
          26 ic2x 
            -1.00000     0.00000     0.00000          0.00000
             0.00000     1.00000     0.00000          2.56500
             0.00000     0.00000     1.00000          2.56500
          27 ic2y 
             1.00000     0.00000     0.00000          2.56500
             0.00000    -1.00000     0.00000          0.00000
             0.00000     0.00000     1.00000          2.56500
          28 ic2z 
             1.00000     0.00000     0.00000          2.56500
             0.00000     1.00000     0.00000          2.56500
             0.00000     0.00000    -1.00000          0.00000
          29 ic31+
             0.00000     0.00000    -1.00000          0.00000
            -1.00000     0.00000     0.00000          0.00000
             0.00000    -1.00000     0.00000          0.00000
          30 ic32+
             0.00000     0.00000     1.00000          2.56500
            -1.00000     0.00000     0.00000          0.00000
             0.00000     1.00000     0.00000          2.56500
          31 ic33+
             0.00000     0.00000     1.00000          2.56500
             1.00000     0.00000     0.00000          2.56500
             0.00000    -1.00000     0.00000          0.00000
          32 ic34+
             0.00000     0.00000    -1.00000          0.00000
             1.00000     0.00000     0.00000          2.56500
             0.00000     1.00000     0.00000          2.56500
          33 ic31-
             0.00000    -1.00000     0.00000          0.00000
             0.00000     0.00000    -1.00000          0.00000
            -1.00000     0.00000     0.00000          0.00000
          34 ic32-
             0.00000    -1.00000     0.00000          0.00000
             0.00000     0.00000     1.00000          2.56500
             1.00000     0.00000     0.00000          2.56500
          35 ic33-
             0.00000     1.00000     0.00000          2.56500
             0.00000     0.00000    -1.00000          0.00000
             1.00000     0.00000     0.00000          2.56500
          36 ic34-
             0.00000     1.00000     0.00000          2.56500
             0.00000     0.00000     1.00000          2.56500
            -1.00000     0.00000     0.00000          0.00000
          37 ic2a 
             0.00000    -1.00000     0.00000          2.56500
            -1.00000     0.00000     0.00000          2.56500
             0.00000     0.00000     1.00000          0.00000
          38 ic2b 
             0.00000     1.00000     0.00000          0.00000
             1.00000     0.00000     0.00000          0.00000
             0.00000     0.00000     1.00000          0.00000
          39 ic2c 
             0.00000     0.00000    -1.00000          2.56500
             0.00000     1.00000     0.00000          0.00000
            -1.00000     0.00000     0.00000          2.56500
          40 ic2d 
             1.00000     0.00000     0.00000          0.00000
             0.00000     0.00000    -1.00000          2.56500
             0.00000    -1.00000     0.00000          2.56500
          41 ic2e 
             0.00000     0.00000     1.00000          0.00000
             0.00000     1.00000     0.00000          0.00000
             1.00000     0.00000     0.00000          0.00000
          42 ic2f 
             1.00000     0.00000     0.00000          0.00000
             0.00000     0.00000     1.00000          0.00000
             0.00000     1.00000     0.00000          0.00000
          43 ic4x+
            -1.00000     0.00000     0.00000          2.56500
             0.00000     0.00000     1.00000          0.00000
             0.00000    -1.00000     0.00000          2.56500
          44 ic4y+
             0.00000     0.00000    -1.00000          2.56500
             0.00000    -1.00000     0.00000          2.56500
             1.00000     0.00000     0.00000          0.00000
          45 ic4z+
             0.00000     1.00000     0.00000          0.00000
            -1.00000     0.00000     0.00000          2.56500
             0.00000     0.00000    -1.00000          2.56500
          46 ic4x-
            -1.00000     0.00000     0.00000          2.56500
             0.00000     0.00000    -1.00000          2.56500
             0.00000     1.00000     0.00000          0.00000
          47 ic4y-
             0.00000     0.00000     1.00000          0.00000
             0.00000    -1.00000     0.00000          2.56500
            -1.00000     0.00000     0.00000          2.56500
          48 ic4z-
             0.00000    -1.00000     0.00000          2.56500
             1.00000     0.00000     0.00000          0.00000
             0.00000     0.00000    -1.00000          2.56500
 -- af =      0 <m_CtrlP_set_af>
=== 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
  -- 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
 !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
 << m_Parallel_init_mpi_kngp >>
 !|| kngp =          941
 !|| -- is_kngp(ista_kngp),  ie_kngp(iend_kngp) --
 !||          1       941
 !pwbs  ngshell =       51
  --- Symmetry Operations (CARTS, PUCV) ---
 !! nopr+af, n =     48    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
  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
 !|| ggacmp_parallel =   0
 !|| nrank_ggacmp, npes_cdfft, nrest_cdfft
 !||   =          1         1         0 <<m_Parallel_init_mpi_cdfft>>
 !|| myrank_ggacmp, myrank_cdfft
 !|| =          0         0 <<m_Parallel_init_mpi_cdfft>>
 !|| map_pe2ggacmp
 !||     0
 !|| map_pe2cdfft
 !||     0
  ---- (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) =             11892352            12965184
 !(CDFFT_setup) nl, nm, nn   =       16      16      16
 !(CDFFT_setup) plan_CD(1:2) =             11939712            11945088
 !kpgnrt way_ksample =      5
 !kpgnrt nbztyp      =    100
 !kpgnrt nbztyp_spg  =      5
 !kp kv3 =    10 nspin =     1
 !kpgnrt way_ksample =      5
 !kpgnrt nbztyp      =    100
 !kpgnrt nbztyp_spg  =      5
 Special k-points generation starts.
 number of k-points in MP mesh        =    64
 number of k-points in full BZ        =   256
 Special k-points generation ends.
 
  === k-points generated ===
 ik        CARTS                      BUCS                   QITG
   1 -0.0765  0.3827  0.3827     0.6250  0.2500  0.2500     0.0938
   2  0.0765  0.2296  0.5358     0.6250  0.5000  0.2500     0.1875
   3 -0.2296  0.2296  0.2296     0.3750  0.0000  0.0000     0.0312
   4 -0.0765  0.0765  0.3827     0.3750  0.2500  0.0000     0.0938
   5  0.0765 -0.0765  0.5358     0.3750  0.5000  0.0000     0.0938
   6  0.0765  0.2296  0.2296     0.3750  0.2500  0.2500     0.0938
   7  0.2296  0.0765  0.3827     0.3750  0.5000  0.2500     0.1875
   8  0.3827  0.2296  0.2296     0.3750  0.5000  0.5000     0.0938
   9 -0.0765  0.0765  0.0765     0.1250  0.0000  0.0000     0.0312
  10  0.0765 -0.0765  0.2296     0.1250  0.2500  0.0000     0.0938

 <<< m_pwBS_for_each_WF >>>
 !# ** kg1_ext, kg1, nbmx (=matrix size) =      128     128     170
 !#  JJT(=sum(iba)) =     1231 MEAN GRV =   2.98933838
 !# pwbs kg_gamma =        0
 
 ! iba(   1) =    122,  nbase(   122,   1) =     170
 ! iba(   2) =    120,  nbase(   120,   2) =     170
 ! iba(   3) =    123,  nbase(   123,   3) =     157
 ! iba(   4) =    126,  nbase(   126,   4) =     154
 ! iba(   5) =    118,  nbase(   118,   5) =     154
 ! iba(   6) =    128,  nbase(   128,   6) =     143
 ! iba(   7) =    121,  nbase(   121,   7) =     151
 ! iba(   8) =    123,  nbase(   123,   8) =     158
 ! iba(   9) =    122,  nbase(   122,   9) =     127
 ! iba(  10) =    128,  nbase(   128,  10) =     151
 !|| << m_Parallel_init_mpi_elec >>
 !|| neg, kv3 =     8   10
 !|| nrank_e
 !||    i    :    0
 !|| nis_e   :    1
 !|| nie_e   :    8
 !|| nel_e   :    8
 !||    i :    0
 !|| nis_e :    1
 !|| nie_e :    8
 !|| nel_e :    8
 !|| idisp_e :    0
 !|| ---  map_k  ---
 !|| (   i   )  1  2  3  4  5  6  7  8  9 10
 !|| ( map_k )  0  0  0  0  0  0  0  0  0  0
 !|| -- myrank_k =        0
 !|| -- ista_k, iend_k =        1      10
 !|| kg1 =        128
 !|| ista_snl =   1
 !|| iend_snl =  10
 !|| << init_mpi_mix >>
 !|| kgpm =          941
 !|| -- is_kgpm, ie_kgpm --
 !||            1         941
 !|| << init_mpi_atm >>
 !|| natm =            2
 !|| -- is_natm, ie_natm --
 !||            1           2
 !|| << init_mpi_atm2 >>
 !|| natm2 =            2
 !|| -- is_natm2, ie_natm2 --
 !||            1           2
 !|| -- parallelization parameters for nbmx --
 !||  - ng_nbmx     =            0
 !||  - myrank_nbmx =            0
 !||  - nrank_nbmx  =            1
 !||  - nbmx, nbmx_ext =          170         170
 !||  - np_nbmx     =          170
 !||  - mp_nbmx     =          170
 !||  - ista_nbmx   =            1
 !||  - iend_nbmx   =          170
 !|| nfftp, nfftph =       8192      4096 <<m_Parallel_init_mpi_gga>>
 !|| ista_fftph, iend_fftph =          1      4096 <<m_Parallel_init_mpi_gga>>
 !|| --- nis_fftp,nie_fftp,nel_fftp,idisp_fftp ---
 !||  npes_cdfft =            1
 !|| ( npe_cdfft )           1
 !|| ( nis_fftp )           1
 !|| ( nie_fftp )        8192
 !|| ( nel_fftp )        8192
 !|| (idisp_fftp)           0
 !|| ( ista_fftp,  iend_fftp )           1        8192
 !|| --- nis_fftph,nie_fftph,nel_fftph ---
 !|| ( npe_cdfft )           1
 !|| ( nis_fftph)           1
 !|| ( nie_fftph)        4096
 !|| ( nel_fftph)        4096
 !|| ( ista_fftph, iend_fftph)           1        4096
 !|| nfftp =       8192 <<m_Parallel_init_mpi_gga>>
 !|| --- nis_sfftp,nie_sfftp,nel_sfftp,idisp_sfftp ---
 !|| ( npe      )           1
 !|| ( nis_sfftp )           1
 !|| ( nie_sfftp )        8192
 !|| ( nel_sfftp )        8192
 !|| (idisp_sfftp)           0
 !|| ( ista_sfftp,  iend_sfftp )           1        8192
 !|| --- nis_sfftph,nie_sfftph,nel_sfftph ---
 !|| ( npe       )           1
 !|| ( nis_sfftph )           1
 !|| ( nie_sfftph )        4096
 !|| ( nel_sfftph )        4096
 !|| ( ista_sfftph, iend_sfftph)           1        4096
 !|| mype, newmype, newpes, mpi_ggacmp_cross_world =            0           0           1 -2080374781
 !|| ik =          1 iba(  1) =        122 <<m_Parallel_init_mpi_iba>>
 !|| --- mis_g1k,nie_g1k,nel_g1k ---
 !|| ( rank_e  )      1
 !|| ( nis_g1k )      1
 !|| ( nie_g1k )    122
 !|| ( nel_g1k )    122
 !|| (myrank_e =   0 iba(ik),ista_g1k,iend_g1k,np_g1k,mp_g1k =     122      1    122    122    122
 !|| ik =          2 iba(  2) =        120 <<m_Parallel_init_mpi_iba>>
 !|| --- mis_g1k,nie_g1k,nel_g1k ---
 !|| ( rank_e  )      1
 !|| ( nis_g1k )      1
 !|| ( nie_g1k )    120
 !|| ( nel_g1k )    120
 !|| (myrank_e =   0 iba(ik),ista_g1k,iend_g1k,np_g1k,mp_g1k =     120      1    120    120    120
 !|| ik =          3 iba(  3) =        123 <<m_Parallel_init_mpi_iba>>
 !|| --- mis_g1k,nie_g1k,nel_g1k ---
 !|| ( rank_e  )      1
 !|| ( nis_g1k )      1
 !|| ( nie_g1k )    123
 !|| ( nel_g1k )    123
 !|| (myrank_e =   0 iba(ik),ista_g1k,iend_g1k,np_g1k,mp_g1k =     123      1    123    123    123
 !||  ......
 !|| ik =          8 iba(  8) =        123 <<m_Parallel_init_mpi_iba>>
 !|| --- mis_g1k,nie_g1k,nel_g1k ---
 !|| ( rank_e  )      1
 !|| ( nis_g1k )      1
 !|| ( nie_g1k )    123
 !|| ( nel_g1k )    123
 !|| (myrank_e =   0 iba(ik),ista_g1k,iend_g1k,np_g1k,mp_g1k =     123      1    123    123    123
 !|| ik =          9 iba(  9) =        122 <<m_Parallel_init_mpi_iba>>
 !|| --- mis_g1k,nie_g1k,nel_g1k ---
 !|| ( rank_e  )      1
 !|| ( nis_g1k )      1
 !|| ( nie_g1k )    122
 !|| ( nel_g1k )    122
 !|| (myrank_e =   0 iba(ik),ista_g1k,iend_g1k,np_g1k,mp_g1k =     122      1    122    122    122
 !|| ik =         10 iba( 10) =        128 <<m_Parallel_init_mpi_iba>>
 !|| --- mis_g1k,nie_g1k,nel_g1k ---
 !|| ( rank_e  )      1
 !|| ( nis_g1k )      1
 !|| ( nie_g1k )    128
 !|| ( nel_g1k )    128
 !|| (myrank_e =   0 iba(ik),ista_g1k,iend_g1k,np_g1k,mp_g1k =     128      1    128    128    128
  F_POT(nfpp) = 
 ../../../../../data/pseudopotential/Si_ldapw91_nc_02.pp                        
                                                                                
                                                                                
                        
 file F_POT(  1) does not exist
../../../../../data/pseudopotential/Si_ldapw91_nc_02.pp                                             
