VASP.zip
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VASP
.DS_Store
8.2 kB
Geometry_Optimizations
DNTT_BP_FCO-FHI-aims-EXP_aims-accurate_AO-VASP
CHG
0 Bytes
CHGCAR
0 Bytes
CONTCAR
8.2 kB
DNTT_BP_FCO-FHI-aims-EXP_aims-accurate_AO_VASP.cif
4.5 kB
DOSCAR
11.1 kB
EIGENVAL
102.5 kB
IBZKPT
1.4 kB
INCAR
831 Bytes
KPOINTS
37 Bytes
OSZICAR
205.9 kB
OUTCAR
36.8 MB
PCDAT
234 Bytes
POSCAR
4.7 kB
POTCAR
551.7 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
779.7 kB
errors.vasp
0 Bytes
geometry.in
4.5 kB
output.vasp
270.3 kB
vasprun.xml
3.9 MB
DNTT_TFP_FCO-FHI-aims-EXP_aims-accurate_AO-VASP
CHG
0 Bytes
CHGCAR
0 Bytes
CONTCAR
8.2 kB
DNTT_TFP_FCO-FHI-aims-EXP_aims-accurate_AO-VASP.cif
4.5 kB
DNTT_TFP_FCO-FHI-aims-EXP_aims-accurate_Nina.cif
4.5 kB
DOSCAR
11.1 kB
EIGENVAL
113.9 kB
IBZKPT
1.6 kB
INCAR
831 Bytes
KPOINTS
37 Bytes
OSZICAR
75.5 kB
OUTCAR
14.1 MB
PCDAT
234 Bytes
POSCAR
4.7 kB
POTCAR
551.7 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
273.8 kB
errors.vasp
0 Bytes
geometry.in
4.5 kB
output.vasp
102.0 kB
vasprun.xml
1.5 MB
DNTT_TFP_FCO-FHI-aims-PRE-not-opt_aims-accurate_AO-VASP
CHG
0 Bytes
CHGCAR
0 Bytes
CONTCAR
8.2 kB
DNTT_TFP_FCO-FHI-aims-PRE-not-opt_aims-accurate_AO-VASP.cif
4.5 kB
DOSCAR
11.1 kB
EIGENVAL
113.9 kB
IBZKPT
1.6 kB
INCAR
831 Bytes
KPOINTS
37 Bytes
OSZICAR
73.0 kB
OUTCAR
13.5 MB
PCDAT
234 Bytes
POSCAR
4.7 kB
POTCAR
551.7 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
262.8 kB
errors.vasp
0 Bytes
geometry.in
4.5 kB
output.vasp
98.8 kB
vasprun.xml
1.4 MB
DNTT_TFP_FCO-FHI-aims-ROT-aims-accurate_AO-VASP
CHG
0 Bytes
CHGCAR
0 Bytes
CONTCAR
8.2 kB
DNTT.cif
86 Bytes
DOSCAR
11.1 kB
EIGENVAL
113.9 kB
IBZKPT
1.6 kB
INCAR
831 Bytes
KPOINTS
37 Bytes
OSZICAR
219.9 kB
OUTCAR
41.6 MB
PCDAT
234 Bytes
POSCAR
4.3 kB
POTCAR
551.7 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
812.8 kB
errors.vasp
0 Bytes
output.vasp
287.2 kB
vasprun.xml
4.1 MB
Phonon_Calculations
.DS_Store
6.1 kB
DNTT_BP_FCO-FHI-aims-EXP_aims-accurate_AO-VASP
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BornEffectiveCharges
FORCE_SETS
761.6 kB
Frequencies.txt
3.0 kB
INCAR
692 Bytes
KPOINTS
37 Bytes
POSCAR
8.2 kB
POTCAR
551.7 kB
SPOSCAR
4.7 kB
band.conf
279 Bytes
band.yaml
8.9 MB
errors.vasp
2.5 kB
force_constants.hdf5
363.9 kB
mesh.yaml
17.8 kB
output.vasp
1.2 MB
phonopy.yaml
30.1 kB
phonopy_disp.yaml
51.7 kB
thermal_properties.yaml
17.0 kB
DNTT_TFP_FCO-FHI-aims-EXP_aims-accurate_AO-VASP
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Frequencies.txt
3.0 kB
INCAR
689 Bytes
POSCAR
8.2 kB
SPOSCAR
4.7 kB
mesh.yaml
17.8 kB
phonopy_disp.yaml
73.3 kB
DNTT_TFP_FCO-FHI-aims-PRE-not-opt_aims-accurate_AO-VASP
DNTT_TFP_FCO-FHI-aims-ROT-aims-accurate_AO-VASP
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BornEffectiveCharges
FORCE_SETS
1.5 MB
Frequencies.txt
3.0 kB
INCAR
689 Bytes
KPOINTS
37 Bytes
POSCAR
8.2 kB
POTCAR
551.7 kB
SPOSCAR
4.7 kB
band.conf
279 Bytes
band.yaml
6.2 MB
errors.vasp
9.1 kB
force_constants.hdf5
384.5 kB
mesh.yaml
17.8 kB
output.vasp
2.3 MB
phonopy.yaml
30.1 kB
phonopy_disp.yaml
73.3 kB
thermal_properties.yaml
17.0 kB
__MACOSX
VASP
._.DS_Store
120 Bytes
Phonon_Calculations
._.DS_Store
120 Bytes