[Pw_forum] About Electron-Phonon Coupling matrix element in QE4.2.1

程迎春 yccheng.nju at gmail.com
Tue Jan 4 22:24:49 CET 2011


Dear PWscf users,

In example07 in QE4.2.1, one can calculate electron phonon coupling in
Al. I have a question about the elctron-phonon coupling matrix element
unit in the ph.x output file. For example, there are some lines in the
file "elph. 0.000000. 0.000000. 0.000000" as following:
==============================================
           0.000000      0.000000      0.000000    10     3
  0.318816E-08  0.318816E-08  0.318816E-08
     Gaussian Broadening:   0.005 Ry, ngauss=   0
     DOS =  1.338727 states/spin/Ry/Unit Cell at Ef=  8.321708 eV
     lambda( 1)=  0.0000   gamma=    0.00 GHz
     lambda( 2)=  0.0000   gamma=    0.00 GHz
     lambda( 3)=  0.0000   gamma=    0.00 GHz
     Gaussian Broadening:   0.010 Ry, ngauss=   0
......
==============================================
The "0.000000      0.000000      0.000000    " in the top line is the
q vector. What do the "10" and "3" mean?
In addition, I guess  " 0.318816E-08  0.318816E-08  0.318816E-08" in
the second line are the elctron-phonon coupling matrix elements. What
is unit of elctron-phonon coupling matrix element?

Thank you in advance.

Bests,
-- 
Y. C. Cheng
Department of Physics
Nanjing University
Nanjing 210093
P. R. China
Tel: 86-25-83592907
Email: yccheng.nju at gmail.com



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