[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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