basis set generation

satya satyanaray... at gmail.com
Fri Nov 21 06:22:55 UTC 2014


Dear CP2K users, 
I want to perform optimization calculations of periodic system contains the 
Tb atom using CP2K-2.4.0. The psuedopotential corresponds to LDA exchange 
correlation function has gotten for Tb atom 
from http://cp2k.web.psi.ch/potentials/ website. Whereas, the basis set for 
Tb is not available in tests/QS/BASIS_MOLOPT directory. I have gone through 
cp2k mailing list where people suggested to generate basis set from 
 http://cp2k.berlios.de/ website. Here, we do not have an access for this 
website. Can anyone please suggest, is there any alternative way to 
generate basis set manually for cp2k.  Your help would be greatly 
appreciated. 

Thanks in advance.


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