What errors ??? I just tried it and it works.
For spin-pol. case You may have to copy case.outputso to case.output1up On 06/22/2016 07:23 PM, Jyoti Krishna wrote:
Hello Prof. Blaha , Could you please suggest me that in Wien2k, how can I get Fermi surface plot in Xcrysden by taking spin-orbit (SO) and ORB into consideration? As read from the previous archives, I had done Fermi surface plot for GGA+U+SO by first doing cp case.outputso case.output1 . But, its still showing erroneous results. Is there any other method? Thanks Jyoti Krishna Research Scholar Department of Physics Indian Institute of Technology Roorkee, Roorkee, Uttrakhand. _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
-- P.Blaha -------------------------------------------------------------------------- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 Email: bl...@theochem.tuwien.ac.at WIEN2k: http://www.wien2k.at WWW: http://www.imc.tuwien.ac.at/staff/tc_group_e.php -------------------------------------------------------------------------- _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html