[Pw_forum] How to calculate partial density of phonon states?
preface767 at sina.com
preface767 at sina.com
Wed Jun 25 15:07:13 CEST 2008
Dear all
I'm a freshman in QE. I have calculated density of phonon states of TiMoH using QE 3.2.3. But I don’t know how to calculate the partial density of phonon states of H in TiMoH. What should I do to get it started? Is there any code in QE 3.2.3 can be used for this task? Or, should any set-up be done in the input files? Is there anybody can give me some suggestions?
Regards
------------------------------------------------
Xu xu
Shenyang National Laboratory for Materials Sciences (SYNL)
Institute of Metal Research (IMR)
Chinese Academy of Sciences (CAS)
E-mail: preface767 at sina.com
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