[Pw_forum] Question on el-ph calculations
Сергей Ерохин
sverohin at tisnum.ru
Thu Apr 23 16:50:12 CEST 2015
Dear Dr. Kondrin,
Thank you for your answer, however I found in the forum that
||||||||||||||||||||||||||||
If your k point grid is fine enough, if you plot lambda as a function of
the broadening there is a plateau, i.e. it looks like this:
lambda
^
|\
| \
| \______ <-- converged value
| \
|_________\__> broadening
The correct value of lambda is the one on the plateau http://qe-forge.org/pipermail/pw_forum/2014-October/105303.html
|||||||||||||||||||||||||||||
And I wonder what value of broadening should be taken to get this plateau. Understand that this value must be small but how far. Could I expect that in my case the plateau at broadening ~0.2.
--
Sergey Erohin
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150423/c83c5ebf/attachment.html>
More information about the users
mailing list