Re: [Phonopy-users] pdos-problem:
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Re: [Phonopy-users] pdos-problem:
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From: Atz T. <atz...@gm...> - 2010-07-15 03:38:32
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Hi, You have to specify the tag EIGENVECTORS. EIGENVECTORS = .TRUE. The document of phonopy is not clear enough.... Togo On Thu, Jul 15, 2010 at 11:29 AM, Atz Togo <atz...@gm...> wrote: > Hi, > > I hope that it's not a bug of the code. Could you show your INPHON and POSCAR? > > Togo > > On Thu, Jul 15, 2010 at 7:42 AM, jiajun liu <one...@gm...> wrote: >> Dear Prof. Togo >> >> I have tried several attempts in order to get the >> partial density of states of the phonons (use PDOS tags) without any >> successes. The phonopy (phonopy-0.9.1) which I used can only give me the >> total density of states, but not the partial density of states. >> >> >> I look into the scripts and bin directory and I found that actually the >> partial DOS and total DOS functions are actually the same! Is it a >> bug/error in the code? Can you please look into it? >> >> Thank you very much for your times & helps. >> >> regards >> KC >> >> >> > > > > -- > Atsushi Togo > http://atztogo.users.sourceforge.net/ > atz...@gm... > -- Atsushi Togo http://atztogo.users.sourceforge.net/ atz...@gm... |
