the partial Phonon DOS

Phonons, DFPT, electron-phonon, electric-field response, mechanical response…

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Roman
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Joined: Fri Jul 06, 2018 12:32 am

the partial Phonon DOS

Post by Roman » Tue Jul 17, 2018 3:40 pm

How to obtain the partial phonon DOS of different vibrational mode(TA/LA) by Abinit like the FIG.8 from the paper Phys.Rev.X,6,021003(2016)?

https://journals.aps.org/prx/abstract/1 ... X.6.021003
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mverstra
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Joined: Wed Aug 19, 2009 12:01 pm

Re: the partial Phonon DOS

Post by mverstra » Tue Jul 17, 2018 3:56 pm

https://docs.abinit.org/variables/anaddb/#iatprj_bs
Matthieu Verstraete
University of Liege, Belgium
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gmatteo
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Re: the partial Phonon DOS

Post by gmatteo » Tue Jul 17, 2018 10:08 pm

https://nbviewer.jupyter.org/github/abi ... /ddb.ipynb
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