[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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>
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