[Pw_forum] problem in phonon calculation of Na2S

[premlata pandit]

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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20081023/8039b92a/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: na2s.ph.in
Type: application/octet-stream
Size: 281 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20081023/8039b92a/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: na2s.q2r.in
Type: application/octet-stream
Size: 63 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20081023/8039b92a/attachment-0001.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Na2S.phonon-bands.pdf
Type: application/pdf
Size: 10449 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20081023/8039b92a/attachment.pdf>