S. K. S. wrote: > > Dear QE USERS, > > Yes, the code works fine when I change the name > of element from "eu" to "Eu" inside the pseudopotential file. > Thank you all for your kind reply. > > One more question : what is Hubbard_alpha ? > Is this Lagrange multipliers? What is its typical value?
typical value: -0.2 to 0.2 in most case should work. center around 0 and check linearity of occupations with alpha. > Is this possible to specify J & U both, in the input file of the > newest version > of QE code or is this always U_eff ? > > regards, > Saha SK > > > ------------------------------------------------------------------------ > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Matteo Cococcioni Department of Chemical Engineering and Materials Science, University of Minnesota 421 Washington Av. SE Minneapolis, MN 55455 Tel. +1 612 624 9056 Fax +1 612 626 7246 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%