Basis set and pseudopotential for Zn

bharat bharats... at gmail.com
Thu May 15 16:24:40 UTC 2014


Dear CP2K experts,

Please forgive me if I am asking very general stupid questions.
I want to do MD simulation using BLYP. My system has Zn atom. 
Unfortunately, I did not find the TZV2P-GTH type basis set for Zn. Can 
anyone able to help me to find the basis set? POTENTIAL file contains 
GTH-BLYP-q12 types pseudopotential. Does CP2K have Troullier-Martin type 
pseudopotential for H, O, Zn? If Yes, where can I find?

Thank you.

Bharat 

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