[Pw_forum] about the lambda and the int alpha2F

[Eyvaz Isaev]

Hi, 

Have you tried matdyn.x to calculate \lambda?

Can you please send me your input file for lambda.x?

> but if I increase the degauss larger than 1

In my experience, degauss up to 0.1 is sufficient to get converged \lambda. So, 
there is no need for such kind HUGE degauss.

Bests,
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



----- Original Message ----
From: Wei Zhou <zdw2000 at gmail.com>
To: PWSCF Forum <pw_forum at pwscf.org>
Sent: Tue, March 29, 2011 1:14:22 AM
Subject: [Pw_forum] about the lambda and the int alpha2F

dear users
I want to calculate the elelectron-phonon coupling, but I found the
lambda is always larger then int alpha2F, but if I increase the
degauss larger than 1, then the lambda can equal the int alpha2F, but
the degauss should be little than 1, so I fell puzzle, is there
something wrong with me ?
-- # degauss   lambda    int alpha2F  <log w>     N(Ef)
  0.010    0.832693    0.648345   122.705    8.265196
  0.020    0.829206    0.674542   123.132    8.626953
  0.030    0.934942    0.748056   124.828   10.124415
  0.040    0.992269    0.788636   125.307   10.954579
  0.050    1.011396    0.801566   125.525   11.343069
  0.060    1.023042    0.810451   125.690   11.551418
  0.070    1.035084    0.820935   125.782   11.696555
  0.080    1.047341    0.832322   125.801   11.819719
  0.090    1.058079    0.842801   125.773   11.931143
  0.100    1.066089    0.851119   125.728   12.031502

any help will be apprecialted
ZhouDawei
JiLin Universiyt ,ChangChun ,China
zdw2000 at gmail.com
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