robinshy at gmail.com
Mon Aug 8 12:45:17 CEST 2011
I think you can use revPBE to produce the PPs for using,and in your
calculation you can set the input_dft='vDW-DF',that's what the example
mean.Could you tell me where you find the information of the example?
2011/7/28 DONG Rui <rdong at ncsu.edu>
> 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"
> Thank you very much for help!
> Rui DONG
> Pw_forum mailing list
> Pw_forum at pwscf.org
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