Dear All, I am doing LDA+U for a compound (YBCO),? which contains Y, Ba.? These 2 species are not in the list inset_hubbard_I.f90 and tabd.f90.? I added these 2 species in these subroutines.? However, when I run, I got the error: from offset_atom_wfc : error #???????? 2 ???? wrong offset
I appreciate if you could let me know if I need to modify something else in other subroutines and what should I change?? Thank you very much, Vi University of Houston -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110818/1a671063/attachment.htm
