You can calculate electron-phonon coupling constant using ph.x (first you should do a scf calculation), then evaluate T_c by means of the McMillan or Allen-Dynes type equation.
? You can try find the paper? "Electron-phonon coupling in metallic solids from density functional theory"? by Shyamal K. Bose and Jens Kortus.? Good luck, Eyvaz. ------------------------------------------------------------------- Prof. Eyvaz Isaev, Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com ________________________________ From: Hongsheng Zhao <[email protected]> To: PWSCF Forum <pw_forum at pwscf.org> Sent: Sunday, July 24, 2011 2:55 PM Subject: [Pw_forum] Can pwscf do the Superconductivity study? Hi all, I want to know can pwscf be used to? study Superconductivity, say, based on bcs theory? Regards -- Hongsheng Zhao <zhaohscas at yahoo.com.cn> School of Physics and Electrical Information Science, Ningxia University, Yinchuan 750021, China _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110728/b08eca3b/attachment.htm
