[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
More information about the users
mailing list