What basis set for GAPW calculations?
Dawid das
add... at googlemail.com
Sun Jun 10 07:15:46 UTC 2018
Dear CP2K Users,
As in the topic my question is what basis sets can I use for BLYP/GAPW
calculations? Since this is augmented
GPW approach, can I use only "allelectron" basis sets that I can find in
*BASIS_SET* files?
Best wishes,
Dawid Grabarek
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