[Pw_forum] phonon bandstructure

Mansoureh Pashangpour mansourehp at gmail.com
Sat May 18 05:36:59 CEST 2013


Dear Ali,
I've found the answer with your help.
Thanks alot,
Mansoureh Pashangpour
IAU,Tehran, IRAN.

On 5/17/13, Oleg Sergeev <seoman at yandex.ru> wrote:
> 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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