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Displaying 5 results for: Kpelzer Posts
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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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