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Displaying 7 results for: Nwchemy Posts
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| Thread Title | Replies | Views | Last Action | Forum |
| For more than 300 electron: fixing electrons in MO Started By : Nwchemy |
2 | 893 | Sep 23rd 9:31 am Vladimir |
General Topics |
| Constrained DFT in NWCHEM Started By : Suoe |
2 | 2040 | Jul 29th 1:29 pm Edoapra |
General Topics |
| QA tests and verification for nwchem 6.5 and hess/vib modules1 2 Started By : Statics |
16 | 5926 | Jan 2nd 3:44 pm Edoapra |
Compiling NWChem |
| Convergence issue with smear tag Started By : Nwchemy |
7 | 2131 | Dec 23rd 11:17 am Edoapra |
General Topics |
| atomic C does not converge with nolevelshifting Started By : Nwchemy |
3 | 1358 | Dec 10th 12:31 pm Edoapra |
General Topics |
| single point dft energy calculation gives different energies with and without noscf tag Started By : Nwchemy |
2 | 1179 | Nov 7th 9:36 pm Nwchemy |
General Topics |
| projecting small basis onto larger one Started By : Gpw501 |
8 | 2046 | Nov 7th 10:06 am Edoapra |
Running NWChem |
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