[Pw_forum] modification of phonon programs

[Konstantin Kudin]

 Dear Eyvaz,

 Is your option conceptually different from this commit:
http://www.democritos.it:8888/O-sesame/chngview?cn=5136

"Added new input variables (iq1, iq2, iq3) to the PH code such that it
is now possible to run the PH code for just one k point out of the full
dispersion grid (specified by nq1, nq2, nq3). This way there is no need
to run PW with 'phonon' first for a non-Gamma k point, and perhaps,
there are some other positive (or negative?) effects that I am not
aware of."

 ?

 Kostya

--- Eyvaz Isaev <eyvaz_isaev at yahoo.com> wrote:

> Dear developers,
> 
> As I am mostly involved in phonon calculations and I
> have  either not very good computers or time
> limitation per job  on supercomputers I have an access
> I introduced some changes to phonon programs so that
> now one can specify iq_start and iq_end keywords in
> ph.in file to calculate phonons for a given set of
> q-points from dyn0-file. 
> 
> If this sounds interesting I can send these modified
> files.
> 
> Bests,
> Eyvaz
> 
> -------------------------------------------------------------------
> Prof. Eyvaz Isaev, 
> Theoretical Physics Department, Moscow State Institute of Steel &
> Alloys, Russia, 
> Department of Physics, Chemistry, and Biology (IFM), Linkoping
> University, Sweden 
> Condensed Matter Theory Group, Uppsala University, Sweden 
> Eyvaz.Isaev at fysik.uu.se, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com
> 
> 
>       
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