[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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