[CP2K-user] confusion of pdos calculated results

Fan Tian lesit... at gmail.com
Wed Aug 7 01:32:17 UTC 2019


Thanks for the reply. Does it mean different basis sets should be employed 
for different elements?  Such as using m-SZV  to describ the H, C elements 
(the elements in the first row of the periodic table) and m-dzvp for the 
others? 
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