[CP2K-user] Pseudopotential calculation (&ATOM RUN_TYPE PSEUDOPOTENTIAL_OPTIMIZATION) for different elements using the same basis functions set.

bogdan.y... at o2online.de bogdan.y... at o2online.de
Thu Mar 21 11:50:29 UTC 2019

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Dear cp2k Gurus,

did somebody computed pseudopotentials, with &ATOM RUN_TYPE 
PSEUDOPOTENTIAL_OPTIMIZATION, using the same basis functions set for 
different elements (e.g. O and C)?
If yes, could You provide an example inputs?

Many thanks in advance.
Bogdan.


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