HKUST-1_FHI-aims_Phonons.zip
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HKUST-1_FHI-aims_Phonons
NM
PBE0_tight_MBD
FORCE_SETS
657.6 kB
analyse_gamma_point.bash
1.3 kB
band.conf
429 Bytes
band.yaml
17.3 MB
control.in
9.7 kB
disp-001
aims.out
3.2 MB
control.in
9.7 kB
geometry.in
10.7 kB
disp-002
aims.out
2.5 MB
control.in
9.7 kB
geometry.in
10.7 kB
disp-003
aims.out
2.1 MB
control.in
9.7 kB
geometry.in
10.7 kB
disp-004
aims.out
2.3 MB
control.in
9.7 kB
geometry.in
10.7 kB
disp-005
aims.out
2.9 MB
control.in
9.7 kB
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10.7 kB
disp-006
aims.out
3.3 MB
control.in
9.7 kB
geometry.in
10.7 kB
disp-007
aims.out
3.0 MB
control.in
9.7 kB
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10.7 kB
disp-008
aims.out
2.3 MB
control.in
9.7 kB
geometry.in
10.7 kB
disp-009
aims.out
2.9 MB
control.in
9.7 kB
geometry.in
10.7 kB
disp-010
aims.out
2.2 MB
control.in
9.7 kB
geometry.in
10.7 kB
disp-011
aims.out
3.3 MB
control.in
9.7 kB
geometry.in
10.7 kB
disp-012
aims.out
3.5 MB
control.in
9.7 kB
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10.7 kB
disp-013
aims.out
5.1 MB
control.in
9.7 kB
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10.7 kB
disp-014
aims.out
4.2 MB
control.in
9.7 kB
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10.7 kB
disp-015
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3.2 MB
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10.7 kB
disp-016
aims.out
2.9 MB
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10.7 kB
disp-017
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2.9 MB
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10.7 kB
disp-018
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2.3 MB
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10.7 kB
disp-019
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2.9 MB
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10.7 kB
disp-020
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2.8 MB
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10.7 kB
disp-021
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2.8 MB
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10.7 kB
disp-022
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3.0 MB
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10.7 kB
disp-023
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2.9 MB
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10.7 kB
disp-024
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3.2 MB
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10.7 kB
disp-025
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2.1 MB
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10.7 kB
disp-026
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2.8 MB
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10.7 kB
disp-027
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2.4 MB
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10.7 kB
disp-028
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2.3 MB
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10.7 kB
disp-029
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2.3 MB
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10.7 kB
disp-030
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1.9 MB
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10.7 kB
disp-031
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2.8 MB
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10.7 kB
disp-032
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2.5 MB
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10.7 kB
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2.3 MB
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10.7 kB
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2.8 MB
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10.7 kB
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2.3 MB
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10.7 kB
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3.2 MB
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disp-041
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3.4 MB
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3.0 MB
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2.3 MB
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2.3 MB
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aims.out
2.7 MB
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10.7 kB
disp-063
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2.6 MB
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aims.out
2.9 MB
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10.7 kB
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aims.out
2.5 MB
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9.7 kB
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10.7 kB
disp-066
aims.out
2.5 MB
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9.7 kB
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10.7 kB
disp-067
aims.out
2.3 MB
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9.7 kB
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10.7 kB
disp-068
aims.out
2.3 MB
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9.7 kB
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10.7 kB
disp-069
aims.out
3.4 MB
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9.7 kB
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10.7 kB
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aims.out
2.6 MB
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9.7 kB
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10.7 kB
disp-071
aims.out
2.5 MB
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9.7 kB
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10.7 kB
disp-072
aims.out
2.3 MB
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9.7 kB
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10.7 kB
disp-073
aims.out
2.4 MB
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9.7 kB
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10.7 kB
disp-074
aims.out
2.5 MB
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9.7 kB
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10.7 kB
disp-075
aims.out
2.1 MB
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9.7 kB
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10.7 kB
disp-076
aims.out
1.9 MB
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9.7 kB
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10.7 kB
disp-077
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2.7 MB
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9.7 kB
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10.7 kB
disp-078
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2.2 MB
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10.7 kB
disp-079
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2.3 MB
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10.7 kB
disp-080
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2.4 MB
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10.7 kB
disp-081
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2.7 MB
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9.7 kB
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10.7 kB
disp-082
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2.9 MB
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10.7 kB
disp-083
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2.8 MB
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9.7 kB
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10.7 kB
disp-084
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2.5 MB
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9.7 kB
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10.7 kB
disp-085
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3.7 MB
control.in
9.7 kB
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10.7 kB
disp-086
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2.8 MB
control.in
9.7 kB
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10.7 kB
disp-087
aims.out
2.3 MB
control.in
9.7 kB
geometry.in
10.7 kB
force_constants.hdf5
1.3 MB
geometry.in
9.2 kB
geometry.in.supercell
10.7 kB
mesh.yaml
2.3 MB
phonopy.yaml
64.3 kB
phonopy_disp.yaml
72.6 kB
PBE_tight_MBD
1
aims.out
1.2 MB
control.in
11.8 kB
geometry.in
10.7 kB
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1.2 MB
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11.8 kB
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10.7 kB
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1.1 MB
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1.1 MB
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1.1 MB
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1.1 MB
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1.2 MB
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1.2 MB
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10.7 kB
200
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
201
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
202
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
203
aims.out
1.3 MB
control.in
11.8 kB
geometry.in
10.7 kB
204
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
205
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
206
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
207
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
208
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
209
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
21
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
210
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
211
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
212
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
213
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
214
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
215
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
216
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
217
aims.out
1.2 MB
control.in
11.8 kB
geometry.in
10.7 kB
218
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
219
aims.out
1.2 MB
control.in
11.8 kB
geometry.in
10.7 kB
22
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
220
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
221
aims.out
1.2 MB
control.in
11.8 kB
geometry.in
10.7 kB
222
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
223
aims.out
1.2 MB
control.in
11.8 kB
geometry.in
10.7 kB
224
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
225
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
226
aims.out
1.2 MB
control.in
11.8 kB
geometry.in
10.7 kB
227
aims.out
1.2 MB
control.in
11.8 kB
geometry.in
10.7 kB
228
aims.out
1.2 MB
control.in
11.8 kB
geometry.in
10.7 kB
229
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
23
aims.out
1.2 MB
control.in
11.8 kB
geometry.in
10.7 kB
230
aims.out
1.2 MB
control.in
11.8 kB
geometry.in
10.7 kB
231
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
232
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
233
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
234
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
235
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
236
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
237
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
238
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
239
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
24
aims.out
1.1 MB
control.in
11.8 kB
geometry.in
10.7 kB
240
FORCE_CONSTANTS
5.1 MB
FORCE_SETS
3.5 MB
band.conf
443 Bytes
band.yaml
17.3 MB
control.in
11.8 kB
force_constants.hdf5
1.4 MB
geometry.in
9.5 kB
phonopy.yaml
63.9 kB
phonopy_disp.yaml
110.7 kB