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
_______________________________________________
Pw_forum mailing list
[email protected]
http://pwscf.org/mailman/listinfo/pw_forum
