Ni5+1.step.CeO2.zip
Ni5+1.step.CeO2
CH3+H_Coop
CONTCAR
14.9 kB
OSZICAR
856.1 kB
OUTCAR
26.5 MB
POSCAR
8.3 kB
CH3+H_Non-coop
CONTCAR
14.9 kB
OSZICAR
885.0 kB
OUTCAR
27.0 MB
POSCAR
8.3 kB
CH4
CONTCAR
14.9 kB
OSZICAR
327.6 kB
OUTCAR
17.5 MB
POSCAR
8.3 kB
TS_Coop
CONTCAR
14.9 kB
OSZICAR
310.8 kB
OUTCAR
16.2 MB
POSCAR
8.3 kB
TS_Non-coop
CONTCAR
14.9 kB
OSZICAR
355.9 kB
OUTCAR
20.4 MB
POSCAR
8.3 kB