Availability of MOLOPT basis sets

Christopher O'Brien cjobr... at gmail.com
Sat Mar 21 17:06:34 UTC 2015


I am interested in obtaining additional MOLOPT basis sets for use with the 
GTH pseudopotentials. Specifically, I am investigating a mineral with Si, 
O, H, and Ca. The only Ca basis set for use with the GTH pseudo potential 
is of the DZVP-SR type. All of the other elements are using TZV2P basis 
sets. I understand that for Ca+/+2, a short range potential might be 
acceptable, but for consistently I would like to obtain the same basis set 
for all of the atoms in the system. 

Are there other Pseudopotential/basis pairs available that may be used with 
CP2K? 
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