[Pw_forum] about the calculation of partial Raman
li niu
niuli1978 at yahoo.com.cn
Thu Oct 9 03:35:47 CEST 2008
Hello pwscf users,
I am doing Raman calculation on boron doped diamond by second-order response method, as described in example 15. I used the dynmat.x code
to obtain Raman cross sections. Now I want to perform a Raman projected
on specific atoms (partial Raman), but don't know how to do? Any suggestions would be appreciated!
thanks
Li Niu
Harbin Institue of Technology
China
---------------------------------
雅虎邮箱,您的终生邮箱!
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20081009/47a84de3/attachment.htm
More information about the Pw_forum
mailing list