Dear Dr.Blaha,<br><br>Thanks a lot!<br><br>Stargmoon<br><br><b><i>Peter Blaha <pblaha@theochem.tuwien.ac.at></i></b> wrote:<blockquote class="replbq" style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"> In WIEN2k06.2 there was a "bug" for spinpolarized insulating systems <br>which could eventually lead to different EF for spin-up/dn. It was fixed <br>in WIEN2k_06.3<br><br>> Dear wien2k community,<br>> <br>> Recently I met a weird problem. The converged scf result had different Fermi levels for spin-up and spin-down states. It looks to me that there are no ghost states (no big QTL-B values) existing in my calculations. Could you please suggest me what I should check when this problem happens?<br>> <br>> Your reply will be highly appreciated!<br>> <br>> Stargmoon<br>> <br>> <br>> ---------------------------------<br>> Do you Yahoo!?<br>> Next-gen email? Have it all with the all-new Yahoo! Mail
Beta.<br><br><br> P.Blaha<br>--------------------------------------------------------------------------<br>Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br>Phone: +43-1-58801-15671 FAX: +43-1-58801-15698<br>Email: blaha@theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/<br>--------------------------------------------------------------------------<br>_______________________________________________<br>Wien mailing list<br>Wien@zeus.theochem.tuwien.ac.at<br>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<br></blockquote><br><p> 
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