PWSCF sample &CONTROL calculation = 'scf', restart_mode = 'from_scratch' , verbosity = 'default', / &SYSTEM ibrav = 1, celldm(1) = 10.0000000000, nat = 2, ntyp = 2, ecutwfc = 30.0000000000, / &ELECTRONS / ATOMIC_SPECIES O 1.00000 OUSPBE.RRKJ3 Ag 1.00000 AgUSPBE.RRKJ3 ATOMIC_POSITIONS alat O 0.000000000 0.000000000 0.000000000 0 0 0 Ag 1.000000000 1.000000000 1.000000000 0 0 0 K_POINTS tpiba 2 0.000000000 0.000000000 0.000000000 0.500000000 0.500000000 0.500000000 0.500000000 0.500000000