HKUST-1_VASP_Geometry_Optimizations.zip
HKUST-1_VASP_Geometry_Optimization
AFM
PBE_900eV_D3
CONTCAR
17.5 kB
DOSCAR
10.7 MB
EIGENVAL
230.1 kB
IBZKPT
657 Bytes
INCAR
1.5 kB
KPOINTS
104 Bytes
OSZICAR
71.8 kB
OUTCAR
26.5 MB
PCDAT
234 Bytes
POSCAR
9.8 kB
POTCAR
798.8 kB
PROCAR
86.5 MB
XDATCAR
512.1 kB
vasprun.xml
114.4 MB
FM
PBE_900eV_D3
CONTCAR
17.5 kB
DOSCAR
10.7 MB
EIGENVAL
238.3 kB
IBZKPT
657 Bytes
INCAR
1.8 kB
KPOINTS
104 Bytes
OSZICAR
3.3 kB
OUTCAR
463.2 kB
PCDAT
234 Bytes
POSCAR
17.5 kB
POTCAR
798.8 kB
PROCAR
89.5 MB
XDATCAR
6.2 kB
vasprun.xml
116.0 MB
NM
PBE_700eV_D3
CONTCAR
17.5 kB
DOSCAR
5.7 MB
EIGENVAL
133.3 kB
IBZKPT
657 Bytes
INCAR
1.5 kB
KPOINTS
104 Bytes
OSZICAR
59.3 kB
OUTCAR
17.3 MB
PCDAT
234 Bytes
POSCAR
17.5 kB
POTCAR
798.8 kB
PROCAR
43.2 MB
XDATCAR
580.0 kB
vasprun.xml
58.5 MB
PBE_900eV_D3
CONTCAR
17.5 kB
DOSCAR
5.7 MB
EIGENVAL
133.3 kB
IBZKPT
657 Bytes
INCAR
1.8 kB
KPOINTS
104 Bytes
OSZICAR
3.2 kB
OUTCAR
315.0 kB
PCDAT
234 Bytes
POSCAR
17.5 kB
POTCAR
798.8 kB
PROCAR
43.2 MB
XDATCAR
6.2 kB
vasprun.xml
56.3 MB
PBE_900eV_D4
CONTCAR
17.5 kB
DOSCAR
5.7 MB
EIGENVAL
16.8 kB
IBZKPT
132 Bytes
INCAR
1.5 kB
KPOINTS
104 Bytes
OSZICAR
20.4 kB
OUTCAR
2.0 MB
PCDAT
234 Bytes
POSCAR
17.5 kB
POTCAR
798.8 kB
PROCAR
5.4 MB
XDATCAR
148.1 kB
vasprun.xml
12.9 MB
PBE_900eV_no_Dispersion
CONTCAR
17.5 kB
DOSCAR
5.7 MB
EIGENVAL
133.3 kB
IBZKPT
657 Bytes
INCAR
1.5 kB
KPOINTS
104 Bytes
OSZICAR
41.1 kB
OUTCAR
10.1 MB
PCDAT
234 Bytes
POSCAR
17.5 kB
POTCAR
798.8 kB
PROCAR
43.2 MB
XDATCAR
333.2 kB
vasprun.xml
57.5 MB