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Displaying 5 results for: Kpelzer Posts
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Thread Title | Replies | Views | Last Action | Forum |
Geometry optimizations that won't converge Started By : Kpelzer |
5 | 477 | Aug 25th 10:24 am Kpelzer |
General Topics |
Understanding Gaussian Cube file output by NWChem Started By : Kpelzer |
3 | 1009 | Aug 19th 3:47 pm Edoapra |
General Topics |
Examples/tutorial for TD-DFT? Started By : Kpelzer |
2 | 1163 | Aug 15th 10:14 am Kpelzer |
General Topics |
Frequency calculation for C70 fullerene crashing, do not understand error Started By : Kpelzer |
3 | 978 | May 28th 9:15 am Bert |
General Topics |
DFT problem: Range-separated functionals failing to converge for C70 fullerene Started By : Kpelzer |
7 | 1735 | May 8th 1:07 pm Kpelzer |
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