[Pw_forum] about the degaussq in the calcualtion of phonon coupling
Wei Zhou
zdw2000 at gmail.com
Thu Mar 31 09:37:55 CEST 2011
Dear users;
I rencently do some calculations about the electron-phonon
calculation using pwscf. however,I feel puzzled about the input file
of lamdba.x, I want to know how to choose the degaussq in the input
file of lambda.x, and I found in my case, I only can let the lambda
equal int alpha2F by using a very larger degaussq, larger than 1, I
also have read the program of lambda.f90, found it is a gauss
broadeding when sum the q. it is reasonable to use a degaussq larger
than1? does anything wrong with me?
any help will be apprecialted
--
ZhouDawei
JiLin Universiyt ,ChangChun ,China
zdw2000 at gmail.com
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