Dear all, In the earlier versions of QE, there used to be a file called set_hubbard_l.f90 where one can add elements for which DFT+U is not configured. However, in espresso-5.0.2, I do not find the routine in PW/src.....can anyone say where it is or what has happened to it?
With regards, Prasenjit -- PRASENJIT GHOSH, IISER Pune, First floor, Central Tower, Sai Trinity Building Garware Circle, Sutarwadi, Pashan Pune, Maharashtra 411021, India Phone: +91 (20) 2590 8203 Fax: +91 (20) 2589 9790 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121207/3764877d/attachment.html
