Re: [Wien] energy

  Dear Prof. Peter Blaha,Thank you for your reply and the valuable comment. I intend to use the Berry phase approach for a polar metal. But unfortunately, if the bands cross the Fermi level, the current Berry phase approach fails. Thus, If I can separate the bands into non-crossing (or better

[Wien] case.energy

  Dear mailing list Users,Would you help me to know whether I can remove those energies which cross the Fermi level from the case.energy to do some calculations on the remaining energies?Regards,S:R___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at

[Wien] Re-Re: generate bxsf format files

 Dear Prof Gavin,Thank you for your helpful reply.S:Rahimi .  Re: [Wien] generate bxsf format files Gavin Abo Wed, 26 Aug 2015 08:58:09 -0700 Right-click in the Fermi surface window,

[Wien] 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

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 ‪ sbh6...@yahoo.com To: wien@zeus.theochem.tuwien.ac.at wien@zeus.theochem.tuwien.ac.at Sent: Wednesday, 26

Re: [Wien] generate bxsf format files

From: ‪Shahrbano Raheme‬ ‪ sbh6...@yahoo.com To: Wien wien@zeus.theochem.tuwien.ac.at 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