DFT-D3 is not currently implemented. I don't know if anybody is working on it. The comments contained in Modules/mm_dispersion.f90 should give some clues on what has to be done.
Paolo On Mon, May 11, 2015 at 2:02 PM, Behnaz Bagheri <[email protected]> wrote: > Dear all, > > Does anybody know whether DFT-D3 has been implemented in PWscf or not yet? > If not, is anybody implementing it? > > Thank you, > Behnaz > > ------------------------------- > With kind regards, > Behnaz Bagheri Varnousfaderani > PhD Candidate > Department of Mathematics and Computer Science > Centre for Analysis,Scientific Computing, and Applications W&I > Institute for Complex Molecular Systems > Technical University of Eindhoven > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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