XC_HYB_MGGA_XC_WB97M_V functional in libxc
pchu... at gmail.com
Sun Aug 13 17:46:44 UTC 2017
I am trying to run single point energy calculation using wB97M-V functional
(through libxc trunk version) in cp2k-4_1.
However, I got an error:
XC_HYB_MGGA_XC_WB97M_V: this XC_FAMILY is currently not supported.
Is that really so? I check the source code of libxc, and found the file
I thought this functional should be ready to use.
Is there anyway I can use XC_HYB_MGGA_XC_WB97M_V in cp2k?
For this hybrid functional, it is really costly for periodic system that
I'm going to run.
But I guess in cp2k, I can use Auxiliary Density Matrix Methods to make it
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