VASP_opt_phonon.zip
Die Vorschau zeigt nicht alle Dateien an.
VASP_opt_phonon
.DS_Store
8.2 kB
2DCu_VASP
.DS_Store
6.1 kB
PBE
.DS_Store
10.2 kB
opt
phonon
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irreps.yaml
31.9 kB
mesh.yaml
4.3 MB
PBEsol
.DS_Store
6.1 kB
opt_loose
opt_tight
phonon
2DVO_VASP
.DS_Store
6.1 kB
PBE
.DS_Store
6.1 kB
atomonly
.DS_Store
8.2 kB
opt
phonon
cell_atom
.DS_Store
8.2 kB
opt
phonon
PBEsol
.DS_Store
6.1 kB
opt
CONTCAR
10.7 kB
DOSCAR
18.3 kB
EIGENVAL
28.5 kB
IBZKPT
207 Bytes
INCAR
1.2 kB
KPOINTS
19 Bytes
OSZICAR
362.2 kB
OUTCAR
37.2 MB
PCDAT
234 Bytes
POSCAR
10.7 kB
POTCAR
1.2 MB
REPORT
0 Bytes
XDATCAR
1.9 MB
errors.vasp
12.8 kB
log.out
466.4 kB
output.vasp
2.7 kB
run.vasp
1.2 kB
vasprun.xml
7.7 MB
phonon
.DS_Store
73.7 kB
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BORN
12.4 kB
BornEffectiveCharges
FORCE_SETS
2.6 MB
band.conf
307 Bytes
force_constants.hdf5
659.1 kB
irreps.yaml
27.9 kB
mesh.yaml
4.3 MB
phonopy.yaml
38.6 kB
phonopy_disp.yaml
94.9 kB
CuTPP_VASP
.DS_Store
6.1 kB
PBE
.DS_Store
6.1 kB
opt
phonon
PBEsol
.DS_Store
6.1 kB
opt
phonon
VOTPP_VASP
.DS_Store
6.1 kB
PBE
.DS_Store
6.1 kB
opt
CONTCAR
8.9 kB
DOSCAR
18.3 kB
EIGENVAL
42.4 kB
IBZKPT
357 Bytes
INCAR
1.1 kB
KPOINTS
95 Bytes
OSZICAR
244.5 kB
OUTCAR
29.1 MB
PCDAT
234 Bytes
POSCAR
8.9 kB
POTCAR
1.0 MB
XDATCAR
1.1 MB
vasprun.xml
4.6 MB
phonon
.DS_Store
20.5 kB
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BORN
2.9 kB
BornEffectiveCharges
FORCE_SETS
450.1 kB
band.conf
274 Bytes
force_constants.hdf5
402.6 kB
irreps.yaml
25.8 kB
mesh.yaml
3.0 MB
phonopy.yaml
32.3 kB
phonopy_disp.yaml
44.0 kB
PBEsol
.DS_Store
6.1 kB
opt
.DS_Store
6.1 kB
CONTCAR
8.9 kB
DOSCAR
18.3 kB
EIGENVAL
42.4 kB
IBZKPT
357 Bytes
INCAR
1.1 kB
KPOINTS
95 Bytes
OSZICAR
3.7 kB
OUTCAR
613.0 kB
PCDAT
234 Bytes
POSCAR
8.9 kB
POTCAR
1.0 MB
XDATCAR
19.3 kB
vasprun.xml
199.1 kB
phonon
.DS_Store
20.5 kB
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BORN
2.9 kB
BornEffectiveCharges
FORCE_SETS
450.1 kB
band.conf
276 Bytes
force_constants.hdf5
401.8 kB
irreps.yaml
25.8 kB
mesh.yaml
3.0 MB
phonopy.yaml
32.3 kB
phonopy_disp.yaml
44.0 kB
__MACOSX
VASP_opt_phonon
._.DS_Store
120 Bytes
2DCu_VASP
._.DS_Store
120 Bytes
PBE
._.DS_Store
120 Bytes
phonon
._irreps.yaml
176 Bytes
._mesh.yaml
176 Bytes
PBEsol
._.DS_Store
120 Bytes
2DVO_VASP
._.DS_Store
120 Bytes
PBE
._.DS_Store
120 Bytes
atomonly
._.DS_Store
120 Bytes
cell_atom
._.DS_Store
120 Bytes
PBEsol
._.DS_Store
120 Bytes
phonon
._.DS_Store
120 Bytes
._FORCE_SETS
176 Bytes
._band.conf
349 Bytes
._force_constants.hdf5
176 Bytes
CuTPP_VASP
._.DS_Store
120 Bytes
PBEsol
._.DS_Store
120 Bytes
VOTPP_VASP
._.DS_Store
120 Bytes
PBE
._.DS_Store
120 Bytes
opt
._CONTCAR
176 Bytes
phonon
._.DS_Store
120 Bytes
._BORN
176 Bytes
._band.conf
506 Bytes
._irreps.yaml
276 Bytes
._mesh.yaml
176 Bytes
PBEsol
._.DS_Store
120 Bytes
opt
._.DS_Store
120 Bytes
phonon
._.DS_Store
120 Bytes
._band.conf
349 Bytes
._irreps.yaml
176 Bytes
._mesh.yaml
176 Bytes