![[ICO]](/icons/blank.gif){kind=icon}
![[PARENTDIR]](/icons/back.gif){kind=icon}
![[ ]](/icons/unknown.gif){kind=icon}
![[TXT]](/icons/text.gif){kind=icon}
![[ ]](/icons/script.gif){kind=icon}
| Name | Last modified | Size | Description |
|---|---|---|---|---|
| Parent Directory | - | ||
| 1-h2-wave.inp | 2025-05-07 10:08 | 340 | |
| 1-h2-wave.out | 2005-01-05 12:53 | 14K | |
| 2-h2-ksener.inp | 2025-05-07 10:08 | 601 | |
| 2-h2-ksener.out | 2005-01-05 12:54 | 21K | |
| 3-h2-prop.inp | 2025-05-07 10:08 | 642 | |
| 3-h2-prop.out | 2005-01-05 12:54 | 13K | |
| 4a-h2-wave.inp | 2025-05-07 10:08 | 403 | |
| 4a-h2-wave.out | 2005-01-05 12:55 | 14K | |
| 4b-h2-wave.inp | 2025-05-07 10:08 | 396 | |
| 4b-h2-wave.out | 2005-01-05 12:55 | 14K | |
| 4c-h2-wave.inp | 2025-05-07 10:08 | 394 | |
| 4c-h2-wave.out | 2005-01-05 12:56 | 43K | |
| 4d-h2-wave.inp | 2025-05-07 10:08 | 390 | |
| 4d-h2-wave.out | 2005-01-05 12:59 | 31K | |
| 4e-h2-wave.inp | 2025-05-07 10:08 | 396 | |
| 4e-h2-wave.out | 2005-01-05 13:00 | 39K | |
| 4f-h2-wave.inp | 2025-05-07 10:08 | 512 | |
| 4f-h2-wave.out | 2005-01-05 13:03 | 32K | |
| 5-h2-geoopt.inp | 2025-05-07 10:08 | 336 | |
| 5-h2-geoopt.out | 2005-01-05 13:03 | 18K | |
| 6a-h2-md-5au.inp | 2025-05-07 10:08 | 421 | |
| 6a-h2-md-5au.out | 2005-01-05 13:05 | 32K | |
| 6b-h2-md-4au.inp | 2025-05-07 10:08 | 427 | |
| 6b-h2-md-4au.out | 2005-01-05 13:07 | 32K | |
| 6c-h2-md-3au.inp | 2025-05-07 10:08 | 426 | |
| 6c-h2-md-3au.out | 2005-01-05 13:09 | 32K | |
| 7-h2-md-4au-ann.inp | 2025-05-07 10:08 | 517 | |
| 7-h2-md-4au-ann.out | 2005-01-05 13:11 | 28K | |
| 8-h2-md-5au-emass.inp | 2025-05-07 10:08 | 522 | |
| 8-h2-md-5au-emass.out | 2005-01-05 13:13 | 32K | |
| 9-h2-bomd-20au.inp | 2025-05-07 10:08 | 463 | |
| 9-h2-bomd-20au.out | 2005-01-05 13:18 | 46K | |
| DENSITY.1.cube | 2005-01-05 12:54 | 41K | |
| DENSITY.2.cube | 2005-01-05 12:54 | 61K | |
| DENSITY.cube | 2005-01-05 12:54 | 5.0K | |
| ELPOT.cube | 2005-01-05 12:54 | 47K | |
| ENERGIES-3au | 2005-01-05 13:09 | 21K | |
| ENERGIES-4au | 2005-01-05 13:07 | 21K | |
| ENERGIES-5au | 2005-01-05 13:05 | 21K | |
| ENERGIES-5au-emass | 2005-01-05 13:13 | 21K | |
| ENERGIES-ann-geoopt | 2005-01-05 13:11 | 16K | |
| ENERGIES-ann-wfopt | 2005-01-05 13:03 | 21K | |
| ENERGIES-bomd-20au | 2005-01-05 13:18 | 5.4K | |
| GEOMETRY.xyz | 2005-01-05 13:18 | 305 | |
| GEO_OPT.xyz | 2005-01-05 13:03 | 204 | |
| H_MT_LDA.psp | 2025-05-07 10:08 | 52K | |
| IONS+CENTERS.xyz | 2005-01-05 12:54 | 510 | |
| NOTES | 2005-01-04 19:04 | 1.5K | |
| TRAJEC-3au.xyz | 2005-01-05 13:09 | 23K | |
| TRAJEC-4au.xyz | 2005-01-05 13:07 | 23K | |
| TRAJEC-5au-emass.xyz | 2005-01-05 13:13 | 23K | |
| TRAJEC-5au.xyz | 2005-01-05 13:05 | 23K | |
| TRAJEC-ann-geoopt.xyz | 2005-01-05 13:11 | 17K | |
| TRAJEC-bomd-20au.xyz | 2005-01-05 13:18 | 5.7K | |
| WANNIER_1.1.cube | 2005-01-05 12:54 | 41K | |
| WANNIER_1.2.cube | 2005-01-05 12:54 | 61K | |
| WAVEFUNCTION.1.cube | 2005-01-05 12:54 | 41K | |
| WAVEFUNCTION.2.cube | 2005-01-05 12:54 | 61K | |
| runme.out | 2005-01-05 13:18 | 7.4K | |
| runme.sh | 2005-01-04 19:04 | 2.2K | |
| total_e.list | 2005-01-05 13:03 | 566 | |