Dear Wang,
> avoid the discontiniuty by?adding??"lsym = .true." in prefix.bands.in
I never used bands.x or bands.in, so, I belive you are right.
The only doubt is that in the case band structure calculations turning on the
lsym=.true. option band.f90 calls sym_band.f90 which reads eigenfunctions and
makes intensive symmerty calculations.
If this takes place for phonon dispersion relations, too - so nice.
If not?
Bests,
Eyvaz.
--- On Sun, 8/9/09, xirainbow <nkxirainbow at gmail.com> wrote:
> From: xirainbow <nkxirainbow at gmail.com>
> Subject: Re: [Pw_forum] Questions about Thermal properties calculation
> To: "PWSCF Forum" <pw_forum at pwscf.org>
> Date: Sunday, August 9, 2009, 6:39 PM
> Dear Eyvas
> lsaev:
>
> >QE makes a good job and discontiniuties
> in the figure can be
> >avoided using more q-points (as it
> >was pointed out in my previous
> >e-mail). I do not think origin or
> gnuplot will help without extra effort.
> >Even using option
> "smooth" in gnuplot may give worse result.
> ?
> I know QE makes a good job??
> When I deal with electronic band, I can
> avoid the discontiniuty by?adding??"lsym = .true." in prefix.bands.in
> file.
>
> I think phonon dispersion does take this privilage.? :
> ?
>
> ____________________________________
> Hui Wang
> School of physics, Nankai University, Tianjin, China
>
