Re: [Wien] generate bxsf format files
From: Shahrbano Raheme To: Wien Sent: Wednesday, 26 August 2015, 16:57:35 Subject: Re: generate bxsf format files Dear Prof Gavin,Thank you for your helpful reply.Best Regards,S. Rahimi Dear Prof. Blaha,Thank you for your reply. I tried tosave it, but I couldn’t. There is no save button.Would, you please help me.Best Regards,S.Rahimi From: Shahrbano Raheme To: "wien@zeus.theochem.tuwien.ac.at" Sent: Wednesday, 26 August 2015, 11:41:05 Subject: generate bxsf format files Dear wien2k users,I would like to generate bxsf files by using wien2k+xcrysden combination. I plotted Fermi surface but not found any bxsf format file.Please help me.Regards,S.Rahimi ___ 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
Re: [Wien] generate bxsf format files
Right-click in the Fermi surface window, then select File -> Save Fermi Surface(s) in BXSF format. ___ 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
Re: [Wien] generate bxsf format files
Dear Prof. Blaha,Thank you for your reply. I tried tosave it, but I couldn’t. There is no save button.Would, you please help me.Best Regards,S.Rahimi From: Shahrbano Raheme To: "wien@zeus.theochem.tuwien.ac.at" Sent: Wednesday, 26 August 2015, 11:41:05 Subject: generate bxsf format files Dear wien2k users,I would like to generate bxsf files by using wien2k+xcrysden combination. I plotted Fermi surface but not found any bxsf format file.Please help me.Regards,S.Rahimi ___ 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
Re: [Wien] generate bxsf format files
Did you try to "save" this in xcrysden. At least for charge densities (I don't know for FS), you need to "save" the data in order to generate the bxsf file. Am 26.08.2015 um 09:11 schrieb Shahrbano Raheme : Dear wien2k users, I would like to generate bxsf files by using wien2k+xcrysden combination. I plotted Fermi surface but not found any bxsf format file. Please help me. Regards, S.Rahimi ___ 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 -- Peter Blaha Inst.Materials Chemistry TU Vienna Getreidemarkt 9 A-1060 Vienna Austria +43-1-5880115671 ___ 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