[Pw_forum] How to calculate partial density of phonon states?

Wed Jun 25 15:07:13 CEST 2008

Dear all
&nbsp;&nbsp;I'm&nbsp;a freshman&nbsp;in QE. I have calculated&nbsp;density of phonon states&nbsp;&nbsp;of&nbsp; TiMoH using QE 3.2.3. But I don’t know how to calculate the partial density of &nbsp;phonon states of H in TiMoH.&nbsp;What should I do to get it started? Is there any code in QE 3.2.3&nbsp;can be used for&nbsp;this task? Or, should any set-up be done in&nbsp;the input files?&nbsp;Is there anybody can give me some suggestions?
Regards
------------------------------------------------
Xu&nbsp;xu
Shenyang&nbsp;National&nbsp;Laboratory&nbsp;for&nbsp;Materials&nbsp;Sciences&nbsp;(SYNL)
Institute&nbsp;of&nbsp;Metal&nbsp;Research&nbsp;(IMR)&nbsp;
Chinese&nbsp;Academy&nbsp;of&nbsp;Sciences&nbsp;(CAS)
E-mail:&nbsp;preface767 at sina.com


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