[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
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