Dear Prof. Blaha and Wien users,I am running FSM in Wien08. When i try to plot DOS, i found there are some problem exist according to UG and former mailing list questions, which guide me follow the sequence: run x lapw1 -up again, x lapw2-up -qtl; x lapw2 -dn -qtl and then put manually the two different E-fermi (from case.scf) into case.qtlup/dn respectively. i found it's works fine for spin up DOS plot, but not for spin down normally. ([Wien] Fixed-Magnetic-Moment Mon Mar 1 12:02:57 CET 2004)Only after a step of x lapw1 -dn is added before x lapw2 -dn -qtl, it could work well. I checked the case files, it is found that no case.vectordn_* files before x lapw1 -dn, thus case.qtldn is empty after run x lapw2 -dn -qtl. That's why i could not plot DOS of spin down.I just wondered whether it is right when i follow the new sequence: run x lapw1 -up again, x lapw2-up -qtl; x lapw1 -dn, x lapw2 -dn -qtl. Another tiny problem is that i could not receive any mails of Wien mailing li! st from Feb 22, 2008, although the mail address is in the safety list of my mail box. I changed another box of Yahoo, still the same problem beside the Wien degist could be received normally. Thanks very much !Xueli Wang Phys. Dept. ,Huazhong University of Science and TechnologyWuhan, 430074 P.R.China Email: wxlhust at msn.com Phone: +86-27-87557517Mobile: +86-27-63567852 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20080504/779279a6/attachment.html
