Dear QE users 1. When I do vc-relax calculation to determine the pressure I get the desired pressure but in the last iteration I get a large jump in the pressure (after "begin final coordinate") sometimes in the order of 1000 kbar. Why is it happening and how can I fix it? 2. I notice that the Fermi level in the SCF file is not the same as the Fermi level in the DOS file. Why is that? Thank you very much
Uri Argaman Ben-Gurion University Israel -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140313/a3f5ca88/attachment.html
