Pseudopotential for M06-L

August Melcher august... at gmail.com
Fri Jun 27 22:08:06 UTC 2014


Did you do it using the CP2K/ATOM/PSEUDOPOTENTIAL_OPTIMIZATION module? If 
so, would you mind showing me the input file you used? I'm having a hard 
time figuring out how to alter the regtest examples to give reasonable 
results.
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