Control{
        cpumax = 3600 sec  ! maximum cpu time
        condition = 0
}

accuracy{
	cutoff_wf =   9.00  rydberg
	cutoff_cd =  36.00  rydberg
	num_bands = 8
	xctype = ldapw91
	initial_wavefunctions = matrix_diagon  
        ksampling{
           mesh{  nx = 4, ny =  4, nz =  4   }
        }
}

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
    }
}
