[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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