test/vaspdir/lack-POTCAR/INCAR in vasputils-0.0.1 vs test/vaspdir/lack-POTCAR/INCAR in vasputils-0.0.2

- old
+ new

@@ -1,11 +1,10 @@ # SCF input for VASP SYSTEM = Untitled (VASP) PREC = High - IBRION = 2 #-1:atoms not moved, 1:quasi-Newton, 2:conjugate-gradient - NSW = 100 #maximum number of ionic steps - ISIF = 2 + IBRION = -1 #-1:atoms not moved, 1:quasi-Newton, 2:conjugate-gradient + NSW = 0 #maximum number of ionic steps ENCUT = 400 NELM = 60 #maximum number of electronic steps NELMIN = 2 #minimum number of electronic steps EDIFF = 1.0e-05 EDIFFG = -0.02