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
