[Pw_forum] Can pwscf do the Superconductivity study?

[Eyvaz Isaev]

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 <zhaohscas at yahoo.com.cn>
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
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