[CP2K-user] how to specify xc functional name in cp2k

Geng Sun sungen... at gmail.com
Tue Apr 23 21:19:58 UTC 2019

Hello everyone,

I wonder how to specify the functional name in  CP2K_INPUT 
<https://manual.cp2k.org/trunk/CP2K_INPUT.html> / ATOM 
<https://manual.cp2k.org/trunk/CP2K_INPUT/ATOM.html> / METHOD 
<https://manual.cp2k.org/trunk/CP2K_INPUT/ATOM/METHOD.html> / XC 
<https://manual.cp2k.org/trunk/CP2K_INPUT/ATOM/METHOD/XC.html> / 

I found that in all the examples under the regest test, the functional 
names startswith an extra "XC_" compared with the functional name from the 
libxc website. Is this required?
I removed the prefix "XC_" and the CP2K also runs, but I don't know which 
is the right way to do it. 

Thanks in advance.

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