single_line mdks.out_scf
Total energy
-1
1.0e-7

single_line mdks.out_pscf
Total energy per unit cell
-1
1.0e-7

single_line mdks.out_pscf
CO_Energy:
2
1.0e-6

single_line mdks.out_pscf
parity:
-1
1.0e-2

single_line mdks.out_pscf
parity:
-2
1.0e-2

single_line mdks.out_pscf
parity:
-3
1.0e-2

single_line mdks.out_pscf
parity:
-4
1.0e-2


single_line
termination of ReSpect
0
0.0e-00
