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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