[Pw_forum] projected phonon DOS

li niu niuli1978 at yahoo.com.cn
Sat Jan 13 06:04:33 CET 2007


Dear PWSCF user,
      I can calculate the total phonon DOS and now I want to calculate projected phonon DOS with tetrahedra (associated with specific atom or vibrational mode in the unit cell). I  searched the pw_forum archive but did not find anything useful. The  projwfc.x program can be used to calculate only electronic projected DOS.  I wonder  if someone have written a code for calculating it , or how should I make a   subroutine to do it ?
thanks!
   
                                                                     Li Niu
                                                     Harbin institute of technology, China
                                           


 		
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 Mp3疯狂搜-新歌热歌高速下   
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