[Pw_forum] Phonon axsf does not move in XCrysden

[Tone Kokalj]

On Mon, 2017-03-27 at 13:07 +0200, Lorenzo Paulatto wrote:
> 
> P.S. If you want to have the atoms moving, you 
> can modify PHonon/PH/write_eigenvectors.f90, around line 230 you
> change:
> 
> write (iout,'(a6,1x,6f10.5)') atm(ityp(na)),  &
>             a0*BOHR_RADIUS_ANGS*tau(1,na), &
>             a0*BOHR_RADIUS_ANGS*tau(2,na), &
>             a0*BOHR_RADIUS_ANGS*tau(3,na), &
>             (DBLE(z((na-1)*3+ipol,i))/znorm,ipol=1,3)
> 
> to
> 
> write (iout,'(a6,1x,6f10.5)') atm(ityp(na)),  &
>             a0*BOHR_RADIUS_ANGS*tau(:,na) &
>               + factor*DBLE(z((na-1)*3+1:3,i))/znorm

In this case it would be more useful to, say, triple this write-
statement in such a way that for each vibration three images are
printed with the "factor" being: -factor, 0.0, +factor.

Best regards, Tone
-- 
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia 
(tel: +386-1-477-3523 // fax: +386-1-251-9385)