[CP2K-user] The orbital type in ATOM code

ningz... at gmail.com ningz... at gmail.com
Tue Sep 25 17:19:51 UTC 2018


Hi all,
    I use the ATOM code to generate the atomic gaussian exponents. But I do 
not know how to specify the orbital type in ATOM code. What is the 
difference between GEOMETRICAL_GTO and GAUSSIAN orbital type?
    With my best regards,
    Zhi
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