[Pw_forum] phonon bandstructure

Oleg Sergeev seoman at yandex.ru
Fri May 17 08:57:38 CEST 2013


Dear Mansoureh,

take a look at PHON program: http://www.homepages.ucl.ac.uk/~ucfbdxa/phon/ . It can do what you want and may be used with QE.

Regards,
Oleg.

16.05.2013, 20:23, "Mansoureh Pashangpour" <mansourehp at gmail.com>:
> Dear Ali,
> By this way I can obtain phonon dispersion plot (phonon DOS plot) not
> phonon modes in a selected Kpoint path.
> regards,
> M. pashangpour
> IAU, Tehran, IRAN.
>
> On 5/16/13, Ali Tavana <tavana.ali at gmail.com> wrote:
>
>>  Dear Mrs. Pashangpour,
>>  I guess you want to calculate a phonon dispersion diagram.
>>  You can find some simple calculations in the examples of QE.
>>  Or see this http://people.sissa.it/~degironc/QE-Tutorial/tutorial_disp.htm.
>>
>>  Good luck
>>  --
>>  A. Tavana,
>>  Uni. of Mohaghegh Ardabili
>>  Ardabil, Iran.
>>
>>  On Thu, May 16, 2013 at 1:55 PM, Mansoureh Pashangpour
>>  <mansourehp at gmail.com
>>>  wrote:
>>>  Dear all
>>>  where can I find an example about phonon bandstructure calculation? (I
>>>  know about  phonon dos calclation.)
>>>  Regards,
>>>  M. pashangpour
>>>  IAU, Tehran , IRAN.
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