VASP_validation_runs.zip
VASP_validation_runs
P3HT
BEEF.dat
1.3 MB
CHG
0 Bytes
CHGCAR
0 Bytes
CONTCAR
103.6 kB
DOSCAR
65.6 kB
EIGENVAL
195 Bytes
HILLSPOT
0 Bytes
IBZKPT
132 Bytes
ICONST
0 Bytes
INCAR
961 Bytes
KPOINTS
226 Bytes
ML_ABN
12.0 MB
ML_FFN
168.6 MB
ML_HIS
5.7 kB
ML_LOGFILE
2.9 MB
ML_REG
6.8 MB
OSZICAR
1.5 MB
OUTCAR
393.7 MB
PCDAT
12.8 MB
POSCAR
24.7 kB
POTCAR
427.9 kB
REPORT
4.5 MB
STATUS.dat
731.6 kB
WAVECAR
0 Bytes
XDATCAR
15.4 MB
add_species
POSCAR
11.3 kB
SPOSCAR
24.7 kB
ml_abn_validation_v17_1C.cfg
7.5 MB
ml_abn_validation_v17_3C.cfg
7.5 MB
ml_abn_validation_v17_6C.cfg
7.5 MB
tmp_SPOSCAR_toview
24.9 kB
errors.vasp
14.4 kB
ml_abn_validation_v17.cfg
7.5 MB
output.vasp
1.5 MB
run.vasp
1.6 kB
vasprun.xml
514.6 MB
PE
BEEF.dat
1.3 MB
CHG
0 Bytes
CHGCAR
0 Bytes
CONTCAR
111.8 kB
DOSCAR
169 Bytes
EIGENVAL
195 Bytes
ERR.dat
3.6 kB
HILLSPOT
0 Bytes
IBZKPT
132 Bytes
ICONST
0 Bytes
INCAR
1.0 kB
KPOINTS
224 Bytes
ML_ABN
9.6 MB
ML_FFN
37.3 MB
ML_HIS
5.7 kB
ML_LOGFILE
2.9 MB
ML_REG
5.5 MB
OSZICAR
1.4 MB
OUTCAR
414.6 MB
PCDAT
7.7 kB
POSCAR
16.6 kB
POTCAR
271.7 kB
REPORT
4.5 MB
WAVECAR
0 Bytes
XDATCAR
166.4 MB
converted_to_MLIP.cfg
6.1 MB
errors.vasp
2.9 kB
output.vasp
1.4 MB
run.vasp
1.6 kB
vasprun.xml
554.1 MB
PT
BEEF.dat
815.0 kB
CONTCAR
87.1 kB
ERR.dat
6.8 kB
IBZKPT
207 Bytes
INCAR
734 Bytes
KPOINTS
226 Bytes
ML_ABN
16.4 MB
ML_FFN
138.8 MB
ML_HIS
5.7 kB
ML_LOGFILE
1.9 MB
ML_REG
9.3 MB
OSZICAR
1.2 MB
OUTCAR
247.7 MB
POSCAR
20.8 kB
POTCAR
427.9 kB
REPORT
2.9 MB
STATUS.dat
465.7 kB
XDATCAR
82.7 MB
errors.vasp
102 Bytes
output.vasp
1.2 MB
run.vasp
825 Bytes
v6_cut.cfg
8.8 MB
v6_full.cfg
10.3 MB
vasprun.xml
277.7 MB