[CP2K-user] [CP2K:10810] XC_HYB_MGGA_XC_WB97M_V functional in libxc

[Frederick Stein]

Hi Stanislav,

Oh, "good" old atoms. Your calculation seems to converge but breaks after 
~200 iterations. Try different preconditioners and/or minimizers. For 
comparison you might try TPSS, too.

Regards
Frederick
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