[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


       
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