[CP2K-user] [CP2K:18496] TPSS not implemented with LSD. Use the LIBXC version * * | instead.
Jürg Hutter
hutter at chem.uzh.ch
Mon Feb 27 11:49:14 UTC 2023
&XC_FUNCTIONAL
&MGGA_X_TPSS
&END MGGA_X_TPSS
&MGGA_C_TPSS
&END MGGA_C_TPSS
&END XC_FUNCTIONAL
________________________________________
From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of GARIMA <bangar263 at gmail.com>
Sent: Monday, February 27, 2023 5:55 AM
To: cp2k
Subject: [CP2K:18496] TPSS not implemented with LSD. Use the LIBXC version * * | instead.
what is the input for this LIBXC version. I wanted to optimise my MOF.
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