[Pw_forum] Band Dispresion
Francesco Pelizza
francesco.pelizza at strath.ac.uk
Sat Sep 3 13:47:31 CEST 2016
Dear Santosh,
Can you try to plot using plotband.x ?
It does the job properly, if you have problem of overlapping line using
in the bands calculation noroverlap= .true., you will also resolve that
problem
But can you try to use plotband.x ??????????
Il 03/09/2016 10:28, Santosh Chiniwar ha scritto:
> If anybody can give me the simplest example for silicon Energy band
> dispersion ( for a single unit cell).
>
> I couldn't find a manual on how to write a code for Quantum Espresso.
> I followed some tutorial example and tried with it.
>
> I may be completely wrong to do it.
>
> Can anybody tell me or direct me to a good resource?
>
> Thank you very much
>
> On 3 September 2016 at 15:01, Santosh Chiniwar
> <santosh.chini at gmail.com <mailto:santosh.chini at gmail.com>> wrote:
>
> Thanks for reply,
>
> First of all, I am new to this forum and I couldn't see
> reply until searching with similar Topic :). Thanks for the reply.
>
> Looks like I made lots of mistake!!!
>
> Can anybody please give me the procedure to get bands
> structrue with some example. so that I can follow it.
>
> Thank you very much
>
> Kind Regards
>
> On 2 September 2016 at 19:43, Santosh Chiniwar
> <santosh.chini at gmail.com <mailto:santosh.chini at gmail.com>> wrote:
>
> May get any reply from anybody.
> Thank you
>
>
> On 02-Sep-2016 9:40 am, "Santosh Chiniwar"
> <santosh.chini at gmail.com <mailto:santosh.chini at gmail.com>> wrote:
>
> May I accept any reply please
>
> thanks and kind regards
> iquantware
>
>
> On 31-Aug-2016 10:12 pm, "Santosh Chiniwar"
> <santosh.chini at gmail.com <mailto:santosh.chini at gmail.com>>
> wrote:
>
> Dear Pw_forum,
> I am trying to simulate silicon from tutorial.
> But I couldn't line plot get on Bands.ps. But instead
> I got point spread.
>
> Inline images 1
> Bands.in code is following
> &bands
> prefix = 'Si_exc2'
> outdir='./'
> filband = 'siliconbands.dat'
> /
>
>
> and
> plotbands.in <http://plotbands.in> code is following
>
> bands.dat
> -6.00 10.00
> bands.xmgr
> bands.ps <http://bands.ps>
> 6.337
> 1.00 6.337
> Any help or suggestion is appreciated.
>
> I am looking for band structure plot as following.
> Inline images 2
>
> I have used macbook and used preview to open bands.ps
> <http://bands.ps> in Mac OsX.
>
> Thank you
>
>
>
> *
> *
> *
> *
>
>
>
>
>
>
>
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