[Pw_forum] consulting two questions

Dengfeng Li phyldf at gmail.com
Fri Jan 3 04:14:45 CET 2014


Dear all,
     I want to calculate the electon-phonon coupling of 2-D structure, but
i encountered the two following questions.
     firstly, in the file of ph.out for phonon calculation, I find the
omega value is positive at almost every q  point. Unfortunately, the phonon
diserpsion has some big imagination frequency in .freq.gp file. I do not
know whether it is possible because this structure is unstable or I have
some errors in the process of calculations.
     Secondly, When I prepair the lambda.in file, I found the obtained q
point position by kpoint.x, which has some weight, is different from the
calculated q point in ph.out file (elph.***).  what should i do to get the
lambda.in file?
      best regards and happy new year
                                                               dengfeng
                                                          NUS, singapore
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140103/64a0ddd8/attachment.html>


More information about the users mailing list