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Displaying 8 results for: Alarcj Topics
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| Thread Title | Replies | Views | Last Action | Forum |
| Erros calculating the raman spectra Started By : Alarcj |
1 | 491 | Jun 6th 1:30 pm Alarcj |
Running NWChem |
| Raman Spectrum of carbon chains: How to identify the vibrational modes Started By : Alarcj |
1 | 377 | Jun 6th 12:54 pm Alarcj |
General Topics |
| Polyacetylene: Singularity in Pulay matrix. Error and Fock matrices removed Started By : Alarcj |
2 | 377 | Apr 29th 5:47 pm Alarcj |
Running NWChem |
| Another Raman question - WARNING: CPKS procedure is NOT converged Started By : Alarcj |
0 | 230 | Apr 29th 5:44 pm Alarcj |
Running NWChem |
| Raman calculations at zero kelvin Started By : Alarcj |
0 | 286 | Apr 27th 11:10 am Alarcj |
General Topics |
| Making movies with rasmolmovie Started By : Alarcj |
1 | 377 | Apr 25th 12:00 pm Edoapra |
Running NWChem |
| Raman and vibrational modes Started By : Alarcj |
1 | 310 | Apr 25th 11:52 am Edoapra |
Running NWChem |
| Bug in Raman code: How to patch? Started By : Alarcj |
1 | 414 | Apr 25th 11:48 am Edoapra |
Compiling NWChem |
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