[Pw_forum] problem in phonon calculation of Na2S

premlata pandit lataprem29 at gmail.com
Thu Oct 23 11:57:07 CEST 2008


Hi users,
I had some problem in Na2S phonon calculation....
The Acoustic modes are comming somewhat unrelevent. I feel there are some
unusual cross-over also.
If anybody just have a look into the graph and comment on it, whether it is
correct or not? I am also sending the na2s.ph.in and na2s.q2r.in file.... Is
there any other parameters, I have to consider for calculation of phonon for
semiconductors like Na2S??


 Thank you

-- 
Premlata Pandit
Ph.d. student,
Barkatullah university,
Bhopal 462026,
MP, India
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