Pseudopotentials and DFT functionals

mpol polynsk... at
Thu Sep 4 06:16:55 UTC 2014

Dear CP2k developers and users,

1. Can one use GTH-PBE pseudopotentials with other functionals, e.g. 
meta-GGA or hybrid functionals? Can it cause a problem, and, if so, what 
kind of problem may be caused?

2. Can one use ATOMIC code to optimize NLCC pseudopotentials? As I've 
noticed, NLCC pseudopotentials are optimized for PBE only. Can we use them 
with other DFT functionals?

Best regards,
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