[CP2K-user] How to generate a new all-electron basis set

Natalie Holzwarth nat... at wfu.edu
Tue Apr 28 15:46:37 UTC 2020

This seems like a very silly question, but from the forum and tutorials, 
particularly from Sanliang Ling of University College London from the
4th CP2K Tutorial, 31st August – 4th September 2015, it seems that I should 
be able to output an all electron  Gaussian orbital dataset using ATOM.   
However, using
the sample input files provided in the tests/ATOM directory,   I have not 
been able to figure out how to get the output of the dataset parameters in 
cp2k format such as in your data subdirectory or from the basis set 
exchange -- https://www.basissetexchange.org/.     Thanks in advance for any
suggestions.     Sincerely,   Natalie Holzwarth
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