Phonon_calculations.zip
Die Vorschau zeigt nicht alle Dateien an.
Phonon_calculations
DFT
P3HT
FORCE_SETS
2.9 MB
POSCAR
11.3 kB
SPOSCAR
24.7 kB
band.conf
421 Bytes
disp-001
CONTCAR
44.3 kB
DOSCAR
11.1 kB
EIGENVAL
25.6 kB
IBZKPT
132 Bytes
INCAR
481 Bytes
KPOINTS
226 Bytes
OSZICAR
2.6 kB
OUTCAR
282.8 kB
PCDAT
234 Bytes
POSCAR
24.7 kB
POTCAR
427.9 kB
REPORT
0 Bytes
XDATCAR
15.4 kB
errors.vasp
12.3 kB
output.vasp
6.2 kB
vasprun.xml
229.5 kB
disp-002
CONTCAR
44.3 kB
DOSCAR
11.1 kB
EIGENVAL
25.6 kB
IBZKPT
132 Bytes
INCAR
477 Bytes
KPOINTS
226 Bytes
OSZICAR
2.5 kB
OUTCAR
280.4 kB
PCDAT
234 Bytes
POSCAR
24.7 kB
POTCAR
427.9 kB
REPORT
0 Bytes
XDATCAR
15.4 kB
errors.vasp
12.3 kB
output.vasp
5.8 kB
vasprun.xml
229.3 kB
force_constants.hdf5
2.3 MB
phonopy.yaml
83.4 kB
phonopy_disp.yaml
98.3 kB
PE
POSCAR
1.6 kB
POSCARS
POSCAR-001
26.6 kB
POSCAR-002
26.6 kB
POSCAR-003
26.6 kB
POSCAR-004
26.6 kB
POSCAR-005
26.6 kB
POSCAR-006
26.6 kB
POSCAR-007
26.6 kB
POSCAR-008
26.6 kB
POSCAR-009
26.6 kB
POSCAR-010
26.6 kB
POSCAR-011
26.6 kB
POSCAR-012
26.6 kB
SPOSCAR
26.6 kB
band.conf
103 Bytes
disp-001
CONTCAR
47.8 kB
DOSCAR
11.1 kB
EIGENVAL
21.7 kB
IBZKPT
132 Bytes
INCAR
488 Bytes
KPOINTS
223 Bytes
OSZICAR
2.1 kB
OUTCAR
244.6 kB
PCDAT
234 Bytes
POSCAR
26.6 kB
POTCAR
271.7 kB
REPORT
0 Bytes
XDATCAR
16.6 kB
errors.vasp
0 Bytes
output.vasp
5.9 kB
vasprun.xml
237.5 kB
disp-002
CONTCAR
47.8 kB
DOSCAR
11.1 kB
EIGENVAL
21.7 kB
IBZKPT
132 Bytes
INCAR
484 Bytes
KPOINTS
223 Bytes
OSZICAR
2.1 kB
OUTCAR
244.6 kB
PCDAT
234 Bytes
POSCAR
26.6 kB
POTCAR
271.7 kB
REPORT
0 Bytes
XDATCAR
16.6 kB
errors.vasp
0 Bytes
output.vasp
6.0 kB
vasprun.xml
237.6 kB
disp-003
CONTCAR
47.8 kB
DOSCAR
11.1 kB
EIGENVAL
21.7 kB
IBZKPT
132 Bytes
INCAR
484 Bytes
KPOINTS
223 Bytes
OSZICAR
2.0 kB
OUTCAR
242.8 kB
PCDAT
234 Bytes
POSCAR
26.6 kB
POTCAR
271.7 kB
REPORT
0 Bytes
XDATCAR
16.6 kB
errors.vasp
0 Bytes
output.vasp
5.9 kB
vasprun.xml
237.2 kB
disp-004
CONTCAR
47.8 kB
DOSCAR
11.1 kB
EIGENVAL
21.7 kB
IBZKPT
132 Bytes
INCAR
484 Bytes
KPOINTS
223 Bytes
OSZICAR
2.1 kB
OUTCAR
244.9 kB
PCDAT
234 Bytes
POSCAR
26.6 kB
POTCAR
271.7 kB
REPORT
0 Bytes
XDATCAR
16.6 kB
errors.vasp
0 Bytes
output.vasp
6.1 kB
vasprun.xml
237.6 kB
disp-005
CONTCAR
47.8 kB
DOSCAR
11.1 kB
EIGENVAL
21.7 kB
IBZKPT
132 Bytes
INCAR
484 Bytes
KPOINTS
223 Bytes
OSZICAR
2.0 kB
OUTCAR
242.6 kB
PCDAT
234 Bytes
POSCAR
26.6 kB
POTCAR
271.7 kB
REPORT
0 Bytes
XDATCAR
16.6 kB
errors.vasp
0 Bytes
output.vasp
6.0 kB
vasprun.xml
237.2 kB
disp-006
CONTCAR
47.8 kB
DOSCAR
11.1 kB
EIGENVAL
21.7 kB
IBZKPT
132 Bytes
INCAR
484 Bytes
KPOINTS
223 Bytes
OSZICAR
2.0 kB
OUTCAR
242.5 kB
PCDAT
234 Bytes
POSCAR
26.6 kB
POTCAR
271.7 kB
REPORT
0 Bytes
XDATCAR
16.6 kB
errors.vasp
0 Bytes
output.vasp
5.8 kB
vasprun.xml
237.2 kB
disp-007
CONTCAR
47.8 kB
DOSCAR
11.1 kB
EIGENVAL
21.7 kB
IBZKPT
132 Bytes
INCAR
484 Bytes
KPOINTS
223 Bytes
OSZICAR
2.0 kB
OUTCAR
242.7 kB
PCDAT
234 Bytes
POSCAR
26.6 kB
POTCAR
271.7 kB
REPORT
0 Bytes
XDATCAR
16.6 kB
errors.vasp
0 Bytes
output.vasp
5.8 kB
vasprun.xml
237.2 kB
disp-008
CONTCAR
47.8 kB
DOSCAR
11.1 kB
EIGENVAL
21.7 kB
IBZKPT
132 Bytes
INCAR
484 Bytes
KPOINTS
223 Bytes
OSZICAR
2.0 kB
OUTCAR
242.8 kB
PCDAT
234 Bytes
POSCAR
26.6 kB
POTCAR
271.7 kB
REPORT
0 Bytes
XDATCAR
16.6 kB
errors.vasp
0 Bytes
output.vasp
5.9 kB
vasprun.xml
237.2 kB
disp-009
CONTCAR
47.8 kB
DOSCAR
11.1 kB
EIGENVAL
21.7 kB
IBZKPT
132 Bytes
INCAR
484 Bytes
KPOINTS
223 Bytes
OSZICAR
2.0 kB
OUTCAR
242.6 kB
PCDAT
234 Bytes
POSCAR
26.6 kB
POTCAR
271.7 kB
REPORT
0 Bytes
XDATCAR
16.6 kB
errors.vasp
0 Bytes
output.vasp
6.0 kB
vasprun.xml
237.2 kB
disp-010
CONTCAR
47.8 kB
DOSCAR
11.1 kB
EIGENVAL
21.7 kB
IBZKPT
132 Bytes
INCAR
484 Bytes
KPOINTS
223 Bytes
OSZICAR
2.0 kB
OUTCAR
242.5 kB
PCDAT
234 Bytes
POSCAR
26.6 kB
POTCAR
271.7 kB
REPORT
0 Bytes
XDATCAR
16.6 kB
errors.vasp
0 Bytes
output.vasp
5.8 kB
vasprun.xml
237.2 kB
disp-011
CONTCAR
47.8 kB
DOSCAR
11.1 kB
EIGENVAL
21.7 kB
IBZKPT
132 Bytes
INCAR
484 Bytes
KPOINTS
223 Bytes
OSZICAR
2.0 kB
OUTCAR
242.8 kB
PCDAT
234 Bytes
POSCAR
26.6 kB
POTCAR
271.7 kB
REPORT
0 Bytes
XDATCAR
16.6 kB
errors.vasp
0 Bytes
output.vasp
5.9 kB
vasprun.xml
237.2 kB
disp-012
CONTCAR
47.8 kB
DOSCAR
11.1 kB
EIGENVAL
21.7 kB
IBZKPT
132 Bytes
INCAR
484 Bytes
KPOINTS
223 Bytes
OSZICAR
2.0 kB
OUTCAR
242.7 kB
PCDAT
234 Bytes
POSCAR
26.6 kB
POTCAR
271.7 kB
REPORT
0 Bytes
XDATCAR
16.6 kB
errors.vasp
0 Bytes
output.vasp
5.8 kB
vasprun.xml
237.2 kB
input
INCAR
484 Bytes
KPOINTS
223 Bytes
POTCAR
271.7 kB
phonopy.yaml
65.0 kB
phonopy_disp.yaml
66.2 kB
PT
FORCE_SETS
1.4 MB
POSCAR
3.4 kB
POSCARS
POSCAR-001
41.3 kB
POSCAR-002
41.3 kB
POSCAR-003
41.3 kB
POSCAR-004
41.3 kB
POSCAR-005
41.3 kB
POSCAR-006
41.3 kB
POSCAR-007
41.3 kB
POSCAR-008
41.3 kB
POSCAR-009
41.3 kB
POSCAR-010
41.3 kB
POSCAR-011
41.3 kB
POSCAR-012
41.3 kB
POSCAR-013
41.3 kB
POSCAR-014
41.3 kB
POSCAR-015
41.3 kB
POSCAR-016
41.3 kB
POSCAR-017
41.3 kB
POSCAR-018
41.3 kB
POSCAR-019
41.3 kB
POSCAR-020
41.3 kB
POSCAR-021
41.3 kB
POSCAR-022
41.3 kB
POSCAR-023
41.3 kB
POSCAR-024
41.3 kB
POSCAR-025
41.3 kB
POSCAR-026
41.3 kB
POSCAR-027
41.3 kB
POSCAR-028
41.3 kB
POSCAR-029
41.3 kB
POSCAR-030
41.3 kB
POSCAR-031
41.3 kB
POSCAR-032
41.3 kB
POSCAR-033
41.3 kB
POSCAR-034
41.3 kB
POSCAR-035
41.3 kB
POSCAR-036
41.3 kB
POSCAR-037
41.3 kB
POSCAR-038
41.3 kB
POSCAR-039
41.3 kB
POSCAR-040
41.3 kB
POSCAR-041
41.3 kB
POSCAR-042
41.3 kB
SPOSCAR
41.3 kB
band.conf
253 Bytes
band.yaml
2.1 MB
band_dotprodcomp.conf
311 Bytes
band_freqcompare.conf
158 Bytes
disp-001
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
2.2 kB
OUTCAR
571.9 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
5.4 kB
vasprun.xml
527.5 kB
disp-002
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.4 kB
OUTCAR
556.3 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.7 kB
vasprun.xml
524.5 kB
disp-003
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.5 kB
OUTCAR
558.5 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
5.0 kB
vasprun.xml
524.9 kB
disp-004
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.3 kB
OUTCAR
554.2 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.6 kB
vasprun.xml
524.2 kB
disp-005
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.3 kB
OUTCAR
552.2 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.6 kB
vasprun.xml
523.8 kB
disp-006
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.3 kB
OUTCAR
552.2 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.5 kB
vasprun.xml
523.8 kB
disp-007
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.3 kB
OUTCAR
552.1 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.5 kB
vasprun.xml
523.8 kB
disp-008
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.3 kB
OUTCAR
552.1 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.5 kB
vasprun.xml
523.8 kB
disp-009
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.3 kB
OUTCAR
554.5 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.9 kB
vasprun.xml
524.2 kB
disp-010
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.3 kB
OUTCAR
554.4 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.8 kB
vasprun.xml
524.2 kB
disp-011
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.3 kB
OUTCAR
552.2 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.6 kB
vasprun.xml
523.8 kB
disp-012
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.3 kB
OUTCAR
554.2 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.6 kB
vasprun.xml
524.2 kB
disp-013
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.3 kB
OUTCAR
552.1 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.5 kB
vasprun.xml
523.8 kB
disp-014
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.3 kB
OUTCAR
552.2 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.5 kB
vasprun.xml
523.8 kB
disp-015
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.3 kB
OUTCAR
554.4 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.8 kB
vasprun.xml
524.2 kB
disp-016
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.3 kB
OUTCAR
554.4 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.8 kB
vasprun.xml
524.2 kB
disp-017
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.3 kB
OUTCAR
552.2 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.6 kB
vasprun.xml
523.8 kB
disp-018
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.3 kB
OUTCAR
552.1 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.5 kB
vasprun.xml
523.8 kB
disp-019
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.3 kB
OUTCAR
554.2 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.6 kB
vasprun.xml
524.2 kB
disp-020
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.3 kB
OUTCAR
552.1 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.5 kB
vasprun.xml
523.8 kB
disp-021
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
2.2 kB
OUTCAR
572.1 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
5.7 kB
vasprun.xml
527.5 kB
disp-022
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.3 kB
OUTCAR
554.2 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.6 kB
vasprun.xml
524.2 kB
disp-023
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.3 kB
OUTCAR
552.3 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.7 kB
vasprun.xml
523.8 kB
disp-024
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.3 kB
OUTCAR
552.1 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.5 kB
vasprun.xml
523.8 kB
disp-025
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.3 kB
OUTCAR
552.2 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.5 kB
vasprun.xml
523.8 kB
disp-026
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.3 kB
OUTCAR
552.1 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.5 kB
vasprun.xml
523.8 kB
disp-027
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.3 kB
OUTCAR
554.2 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.6 kB
vasprun.xml
524.2 kB
disp-028
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.3 kB
OUTCAR
552.1 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.5 kB
vasprun.xml
523.8 kB
disp-029
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.3 kB
OUTCAR
552.1 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.5 kB
vasprun.xml
523.8 kB
disp-030
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.3 kB
OUTCAR
552.2 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.5 kB
vasprun.xml
523.8 kB
disp-031
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.3 kB
OUTCAR
554.6 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
5.0 kB
vasprun.xml
524.2 kB
disp-032
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
2.2 kB
OUTCAR
572.1 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
5.6 kB
vasprun.xml
527.5 kB
disp-033
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.3 kB
OUTCAR
552.4 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.8 kB
vasprun.xml
523.8 kB
disp-034
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
2.3 kB
OUTCAR
574.1 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
5.6 kB
vasprun.xml
527.9 kB
disp-035
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.9 kB
OUTCAR
565.6 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
5.2 kB
vasprun.xml
526.4 kB
disp-036
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
2.3 kB
OUTCAR
574.2 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
5.7 kB
vasprun.xml
527.9 kB
disp-037
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
2.3 kB
OUTCAR
574.2 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
5.7 kB
vasprun.xml
527.9 kB
disp-038
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
2.2 kB
OUTCAR
571.9 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
5.5 kB
vasprun.xml
527.5 kB
disp-039
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.9 kB
OUTCAR
565.6 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
5.1 kB
vasprun.xml
526.4 kB
disp-040
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
2.3 kB
OUTCAR
574.3 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
5.8 kB
vasprun.xml
527.9 kB
disp-041
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.2 kB
OUTCAR
550.1 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.4 kB
vasprun.xml
523.4 kB
disp-042
CONTCAR
74.2 kB
DOSCAR
11.1 kB
EIGENVAL
221.3 kB
IBZKPT
357 Bytes
INCAR
352 Bytes
KPOINTS
225 Bytes
OSZICAR
1.2 kB
OUTCAR
550.1 kB
PCDAT
234 Bytes
POSCAR
41.3 kB
POTCAR
427.9 kB
XDATCAR
25.8 kB
errors.vasp
12.3 kB
output.vasp
4.4 kB
vasprun.xml
523.4 kB
force_constants.hdf5
1.2 MB
input
INCAR
352 Bytes
KPOINTS
225 Bytes
POTCAR
427.9 kB
phonopy.yaml
103.2 kB
phonopy_disp.yaml
107.3 kB