control{
    condition = initial 
    cpumax = 46 hour
    max_iteration = 100000
}
accuracy{
    ksampling{
        mesh{
            nx = 8
            ny = 8
            nz = 8 
        }
        method = monk 
    }
    num_bands = 12
    cutoff_wf = 30.0 Rydberg
    cutoff_cd = 270.0 Rydberg

    scf_convergence{
        delta_total_energy = 1.0E-8 Hartree
    }

    force_convergence{
        max_force = 2.0E-4 Hartree/Bohr
    }

    initial_wavefunctions = atomic_orbitals
    initial_charge_density = atomic_charge_density

    paw = on

}
structure{
    atom_list{
        atoms{
            #tag element rx ry rz
Pt  0.0  0.0  0.0
        }
    }
    unit_cell_type = Bravais 
    unit_cell{
! Z. Phys. Chem. (Munich),1985,144,,223-229,Ebert H., Abart J., Voitlander J.
        #units angstrom
        a =  3.925
        b =  3.925
        c =  3.925
        alpha = 90.00 
        beta = 90.00 
        gamma = 90.00 
    }

    symmetry{
        method = automatic
        tspace{
            lattice_system = fcc
        }    
   }
    element_list{
        #tag element atomicnumber moment
               Pt     78   0.0
    }
}
structure_evolution {
    stress{
      sw_stress = on
      sw_stress_correction = on
   }
   lattice{
     sw_optimize_lattice = on
     sw_rebuild_pws = on
   }
}
printlevel{
   magmom = 2
   gap = 2
}
