[molpro-user] DFT functionals

Ersin Yurtsever EYURTSEV at ku.edu.tr
Tue Apr 26 13:19:03 CEST 2016

I am trying to use M062X functional on Molpro 2010.1.  I used M06-2X which gives an error message.

Is it possible that this functional was not defined in that version?

Prof.Dr.Ersin Yurtsever
Koç Üniversitesi, Kimya Bölümü

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