NWChem functionality
| Announcement's | Replies | Views | Last Action |
| Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups |
0 | 1715 | Jun 18th 5:01 pm Edoapra |
| Locked Sticky: NWChem 7.0.0 available for dowload |
0 | 13620 | Dec 14th 2:51 pm Edoapra |
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| Thread Title | Replies | Views | Last Action |
| Combining COSMO and NMR shielding |
2 | 3511 | Jun 8th 5:36 pm Niri |
| Freq calculation with freeze atoms |
1 | 2780 | May 17th 11:54 am Bert |
| Spin density for arbitrary CI |
1 | 3067 | May 3rd 10:18 am Bert |
| How to import Hessian from another program? |
2 | 3170 | Apr 4th 11:37 am Guest - |
| accessing MOs from python |
1 | 2978 | Apr 1st 12:28 pm Bert |
| suggestion for future release: setting up permanent_dir via environmental variable |
2 | 3385 | Apr 1st 12:26 pm Bert |
| EA-EOMCC methods |
1 | 2596 | Mar 2nd 12:14 pm Guest - |
| TDDFT Transition densities |
0 | 3160 | Jan 25th 2:25 am Guest - |
| DFT-D in Nwchem |
3 | 3731 | Jan 24th 7:59 am Strutynski.karol |
| Spin-orbit coupling martrix elements calculation with NWchem |
1 | 4304 | Dec 12th 8:51 pm Niri |
| basis sets for relativistic NESC |
1 | 3595 | Oct 28th 5:03 pm Bert |
| Fix for S4 symmetry with NWChem 6.0 |
0 | 3351 | Oct 26th 12:19 pm Niri |
| DNTMC |
1 | 2486 | Oct 18th 10:34 am Guest - |
| Welcome.. |
0 | 2642 | Sep 3rd 9:49 am WikiSysop |
| Forum >> NWChem's corner >> NWChem functionality |
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