[Pw_forum] ack question

[Eyvaz Isaev]

Hi,

Please follow Stefano's comment and do not forget 
specify your affiliation. 

There is not enough information provided to make a
conclusion why it happens. Please post your input
files.

Bests,
Eyvaz.

--- wang yanchao <wyanchao at gmail.com> wrote:

> Dear users,
>   When I caculate the body center orthorhombic
> phonon spectrum,
> I met a question,which I use pwtools/kpoint.x to
> generate 5 qpoints(nr is 2
> 3 2)then run ph.x, all  *.dyn  is  OK!  but when I
> run q2r.x,the error is "q
> not allowed",I think program is due to primtive and
> convetional cell is not
> the same! So I use run scf kpoint set 2 3 2 then
> there 10 kpoints,then I use
> this to do phonon ! *.dyn is also OK! but run
> q2r.x,the error is the same as
> before! Now I do not know how to do next ! if
> someone know Please tell me
> how to deal with it ! thank you in advance!!!!
> 


-------------------------------------------------------------------
Prof. Eyvaz Isaev, 
Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, and 
Condensed Matter Theory Group, Uppsala University, Sweden Eyvaz.Isaev at fysik.uu.se, eyvaz_isaev at yahoo.com


       
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