Index of /~legacy.akohlmey/cpmd-tutor/reference/03-nh3

[ICO]NameLast modifiedSizeDescription
[PARENTDIR]Parent Directory   -  
[ ]runme.sh 2005-01-04 21:51 1.4K 
[ ]runme.out 2005-01-05 18:32 8.1K 
[ ]ediff.list 2005-01-05 14:37 175  
[ ]WANNIER_1.4.cube 2005-01-05 14:30 123K 
[ ]WANNIER_1.3.cube 2005-01-05 14:30 107K 
[ ]WANNIER_1.2.cube 2005-01-05 14:30 95K 
[ ]WANNIER_1.1.cube 2005-01-05 14:30 107K 
[ ]N_VDB_BLYP.psp 2025-11-06 19:08 233K 
[ ]N_MT_BLYP.psp 2025-11-06 19:08 104K 
[ ]IONS+CENTERS.xyz 2005-01-05 14:29 1.0K 
[ ]H_VDB_BLYP.psp 2025-11-06 19:08 84K 
[ ]H_MT_BLYP.psp 2025-11-06 19:08 52K 
[ ]GEOMETRY.xyz 2005-01-05 18:32 569  
[ ]ELPOT.cube 2005-01-05 14:30 6.4M 
[ ]ELF.cube 2005-01-05 14:30 314K 
[ ]DENSITY.cube 2005-01-05 14:30 47K 
[ ]DENSITY.4.cube 2005-01-05 14:30 28K 
[ ]DENSITY.3.cube 2005-01-05 14:30 29K 
[ ]DENSITY.2.cube 2005-01-05 14:30 25K 
[ ]DENSITY.1.cube 2005-01-05 14:30 24K 
[TXT]6-nh3-md-cont.out 2005-01-05 18:32 71K 
[ ]6-nh3-md-cont.inp 2025-11-06 19:08 697  
[TXT]5-nh3-md-vdb.out 2005-01-05 17:02 106K 
[ ]5-nh3-md-vdb.inp 2025-11-06 19:08 673  
[ ]5-6-nh3-md.xyz 2005-01-05 18:32 64K 
[ ]5-6-nh3-md-energies.dat2005-01-05 18:32 170K 
[ ]4-nh3-geoopt-flat.xyz 2005-01-05 14:37 1.4K 
[TXT]4-nh3-geoopt-flat.out 2005-01-05 14:37 33K 
[ ]4-nh3-geoopt-flat.inp 2025-11-06 19:08 789  
[TXT]3-nh3-prop-mt.out 2005-01-05 14:30 18K 
[TXT]3-nh3-prop-mt.inp 2025-11-06 19:08 735  
[TXT]2-nh3-wfopt-mt.out 2005-01-05 14:29 22K 
[TXT]2-nh3-wfopt-mt.inp 2025-11-06 19:08 758  
[ ]1-nh3-geoopt-vdb.xyz 2005-01-05 14:13 488  
[TXT]1-nh3-geoopt-vdb.out 2005-01-05 14:13 24K 
[ ]1-nh3-geoopt-vdb.inp 2025-11-06 19:08 737