Control{
	condition = initial
	cpumax = 1 day    ! {sec|min|hour|day}
	max_iteration = 60000
}

accuracy{
	cutoff_wf =  25.00  rydberg
	cutoff_cd = 230.00  rydberg
	num_bands = 30
	ksampling{
		method = mesh ! {monk|mesh|file|directin|gamma}
		mesh{ nx=6, ny=6, nz=6}
	}
	smearing{
		method = tetrahedral ! {parabolic|tetrahedral}
	}
        hubbard{
           sw_hubbard = on
           projectors{
             #units eV
             #tag no ueff
                  1   0.0
           }
        }
        projector_list{
          projectors{
            #tag no group radius l
                 1  1     2.75   2
          }
        }
	scf_convergence{
		delta_total_energy = 1.e-9 hartree
	}
	force_convergence{
		max_force = 0.1e-3
	}

	!!initial_wavefunctions = matrix_diagon !{random_numbers|matrix_diagon}
	initial_wavefunctions = atomic_orbitals !{random_numbers|matrix_diagon}
        initial_charge_density = atomic_charge_density
            matrix_diagon{
               cutoff_wf =  10.0 rydberg  ! cke_wf
            }
}

structure{
        unit_cell_type=bravais
        unit_cell{
          a = 7.52477 , b= 7.52477 , c= 7.52477
          alpha=90.0, beta=90.0, gamma=90.0
        }

	symmetry{
	      crystal_structure = simple_cubic
	      sw_inversion = off
	}
	magnetic_state = para !{para|af|ferro}

	atom_list{
	     coordinate_system = internal ! {cartesian|internal}
	     atoms{
	     #default mobile=no
#tag  rx                 ry                 rz                 element proj_group
       0.0                0.0                0.0                Sr      0
       0.5                0.5                0.5                Ti      1
       0.0                0.5                0.5                O       0
       0.5                0.0                0.5                O       0
       0.5                0.5                0.0                O       0
	     }
	}
	element_list{ #tag element  atomicnumber  zeta  dev
                            Sr        38           0.00  2.0
                            Ti        22           0.00  2.0
                            O          8           0.00  2.0
        }
}

structure_evolution{
     method = gdiis
     dt  = 100.0
     gdiis{
       gdiis_box_size = 4
       gdiis_update = RENEW
       c_forc2gdiis = 0.0050
       c_iteration2GDIIS = 3
     }
     stress{
       sw_stress = off
     }
}

postprocessing{
 dos {
       sw_dos = on
 }
}

printlevel{
	base = 1
	timing = 1
	solver = 1
	evdff  = 1
	rmm    = 0
	snl    = 0
	gdiis  = 1
	eigenvalue = 1
	spg    = 1
	kp     = 2
	pulay  = 0
        matdiagon = 0
	vlhxcq = 0
	totalcharge = 1
	submat = 0
	strcfctr = 0
	inputfile = 2
        davidson = 1
}
