[Wien] energy

Dearmailing list users, wuold you help me to know, Can I remove energys that are cross fermi energy from case.energy in order to do some calculations on other energies?___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.

[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 h

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 to

[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 http://zeus.t

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: gen

[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, th

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