Index of /~legacy.akohlmey/cpmd-tutor/reference/01-h2

[ICO]NameLast modifiedSizeDescription
[PARENTDIR]Parent Directory   -  
[TXT]NOTES 2005-01-04 19:04 1.5K 
[ ]runme.sh 2005-01-04 19:04 2.2K 
[TXT]1-h2-wave.out 2005-01-05 12:53 14K 
[TXT]2-h2-ksener.out 2005-01-05 12:54 21K 
[TXT]3-h2-prop.out 2005-01-05 12:54 13K 
[ ]IONS+CENTERS.xyz 2005-01-05 12:54 510  
[ ]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 
[ ]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 
[TXT]4a-h2-wave.out 2005-01-05 12:55 14K 
[TXT]4b-h2-wave.out 2005-01-05 12:55 14K 
[TXT]4c-h2-wave.out 2005-01-05 12:56 43K 
[TXT]4d-h2-wave.out 2005-01-05 12:59 31K 
[TXT]4e-h2-wave.out 2005-01-05 13:00 39K 
[TXT]4f-h2-wave.out 2005-01-05 13:03 32K 
[ ]ENERGIES-ann-wfopt 2005-01-05 13:03 21K 
[ ]total_e.list 2005-01-05 13:03 566  
[TXT]5-h2-geoopt.out 2005-01-05 13:03 18K 
[ ]GEO_OPT.xyz 2005-01-05 13:03 204  
[TXT]6a-h2-md-5au.out 2005-01-05 13:05 32K 
[ ]ENERGIES-5au 2005-01-05 13:05 21K 
[ ]TRAJEC-5au.xyz 2005-01-05 13:05 23K 
[TXT]6b-h2-md-4au.out 2005-01-05 13:07 32K 
[ ]ENERGIES-4au 2005-01-05 13:07 21K 
[ ]TRAJEC-4au.xyz 2005-01-05 13:07 23K 
[TXT]6c-h2-md-3au.out 2005-01-05 13:09 32K 
[ ]ENERGIES-3au 2005-01-05 13:09 21K 
[ ]TRAJEC-3au.xyz 2005-01-05 13:09 23K 
[TXT]7-h2-md-4au-ann.out 2005-01-05 13:11 28K 
[ ]ENERGIES-ann-geoopt 2005-01-05 13:11 16K 
[ ]TRAJEC-ann-geoopt.xyz 2005-01-05 13:11 17K 
[TXT]8-h2-md-5au-emass.out 2005-01-05 13:13 32K 
[ ]ENERGIES-5au-emass 2005-01-05 13:13 21K 
[ ]TRAJEC-5au-emass.xyz 2005-01-05 13:13 23K 
[TXT]9-h2-bomd-20au.out 2005-01-05 13:18 46K 
[ ]ENERGIES-bomd-20au 2005-01-05 13:18 5.4K 
[ ]GEOMETRY.xyz 2005-01-05 13:18 305  
[ ]TRAJEC-bomd-20au.xyz 2005-01-05 13:18 5.7K 
[ ]runme.out 2005-01-05 13:18 7.4K 
[ ]1-h2-wave.inp 2025-11-06 19:08 340  
[TXT]2-h2-ksener.inp 2025-11-06 19:08 601  
[TXT]3-h2-prop.inp 2025-11-06 19:08 642  
[ ]4a-h2-wave.inp 2025-11-06 19:08 403  
[ ]4b-h2-wave.inp 2025-11-06 19:08 396  
[ ]4c-h2-wave.inp 2025-11-06 19:08 394  
[ ]4d-h2-wave.inp 2025-11-06 19:08 390  
[ ]4e-h2-wave.inp 2025-11-06 19:08 396  
[TXT]4f-h2-wave.inp 2025-11-06 19:08 512  
[ ]5-h2-geoopt.inp 2025-11-06 19:08 336  
[ ]6a-h2-md-5au.inp 2025-11-06 19:08 421  
[ ]6b-h2-md-4au.inp 2025-11-06 19:08 427  
[ ]6c-h2-md-3au.inp 2025-11-06 19:08 426  
[ ]7-h2-md-4au-ann.inp 2025-11-06 19:08 517  
[TXT]8-h2-md-5au-emass.inp 2025-11-06 19:08 522  
[ ]9-h2-bomd-20au.inp 2025-11-06 19:08 463  
[ ]H_MT_LDA.psp 2025-11-06 19:08 52K