[Pw_forum] vdw-df2
DONG Rui
rdong at ncsu.edu
Wed Jul 27 18:31:54 CEST 2011
Hi, all
I have something not clear about the vdw-df implementation.
It is mentioned in the example that we'd better use revised pbe when using
the vdw-df, but "revPBE" itself is another xc-functional? What do we do now?
Do we write the input_dft="revPBE+vdW-DF2"?
or we do "revPBE" first and use the result to restart a "vdW-DF2"
calculation?
Thank you very much for help!
--
Sincerely,
Rui DONG
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