NLCC PP + GTH PP?

mpol polynsk... at gmail.com
Mon Jul 14 12:52:20 UTC 2014


Dear CP2k users and developers,

Can we combine NLCC pseudopotentials for main group elements with the 
uncorrected GTH-type pseudopotentials for transition metals that include 
semi-core electrons? Of course, the pseudopotentials designed for PBE 
functional are used in both cases.

Best regards,
MP
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