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://www.democritos.it/pipermail/pw_forum/attachments/20081023/8039b92a/attachment.htm -------------- next part -------------- A non-text attachment was scrubbed... Name: na2s.ph.in Type: application/octet-stream Size: 280 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20081023/8039b92a/attachment.obj -------------- next part -------------- A non-text attachment was scrubbed... Name: na2s.q2r.in Type: application/octet-stream Size: 62 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20081023/8039b92a/attachment-0001.obj -------------- next part -------------- A non-text attachment was scrubbed... Name: Na2S.phonon-bands.pdf Type: application/pdf Size: 10448 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20081023/8039b92a/attachment.pdf
