NaNs in wave function cube files

Claudio marg... at gmail.com
Fri Nov 20 10:56:23 CET 2009


First of all, thank you all for your help!

Yes, my previous dft calculations were with GPW not GAWP and were with
the GTH basis set.

Matthias, should I change MULTIGRID_CUTOFF for each grid or CUTOFF for
the finest grid level?

Cheers,

Claudio



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