[QE-users] Partial PHONON density of states

Mitsuaki Kawamura mkawamura at issp.u-tokyo.ac.jp
Thu May 10 06:55:41 CEST 2018


Dear Kapildeb

Hello,
I added that function to the program matdyn.x two month ago.
It is included in the developing version.

Please refer the following thread of this forum:
http://lists.quantum-espresso.org/pipermail/users/2018-March/040476.html

Although there is no example for this function (Partial DOS in matdyn.x), I think you can use it straightforwardly because the procedure is the same as that to compute the total DOS with matdyn.x.

Best regrads,
Mitsuaki Kawamura

--
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Dr. Mitsuaki Kawamura
Ozaki Laboratory
The Institute for Solid State Physics, Kashiwa, Japan
e-mail : mkawamura at issp.u-tokyo.ac.jp
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From: users <users-bounces at lists.quantum-espresso.org> On Behalf Of Kapildeb Dolui
Sent: Thursday, May 10, 2018 6:46 AM
To: users at lists.quantum-espresso.org
Subject: [QE-users] Partial PHONON density of states

Dear All,

Can anybody help me how to plot partial phonon density of states (atom projected) with an example. I am aware from the forum-list that it possible to plot with older version of QE5.1.1, but I do not find anyway suitable example there, regarding partial density of states. If there is any other possible way to plot, and somebody can share an example file, I will appreciate and be thankful. 
Thank you in advance,
Kapildeb Dolui,
Postdoctoral Researcher,
University of Delaware, USA    



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