[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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