"tot_magnetization" (at least for LSDA calculations) P.
On Fri, Nov 27, 2015 at 2:28 PM, Yusuf Zuntu <[email protected]> wrote: > Dear QE users, > > Please I want to know the input flag to use in doing High spin S = 2 and > Low spin S = 1 calculations in QE as defined in this paper > http://dx.doi.org/10.1016/j.commatsci.2015.08.010 . Appreciate your kind > response. > > Yusuf Zuntu > PhD Candidate > USM, Malaysia > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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