[CP2K-user] [CP2K:19966] cp2k 2024.1 for libxc functional
Young In Jhon
yijhon at gmail.com
Sun Feb 25 08:33:01 UTC 2024
Hello,
I'd like to use the following section for cp2k 2024.1 which works well in
the previous version.
&XC_FUNCTIONAL
&LIBXC
MGGA_X_SCAN
&END LIBXC
&LIBXC
MGGA_C_SCAN
&END LIBXC
&END XC_FUNCTIONAL
However, if I use this, I got the message below.
" found an unknown keyword FUNCTIONAL in section XC_FUNCTIONAL"
How should I modify this section for cp2k 2024.1?
Thank you for answers in advance.
Best regards,
Young
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