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 <[email protected]> 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 <[email protected]> > wrote: > >> May get any reply from anybody. >> Thank you >> >> On 02-Sep-2016 9:40 am, "Santosh Chiniwar" <[email protected]> >> wrote: >> >>> May I accept any reply please >>> >>> thanks and kind regards >>> iquantware >>> >>> On 31-Aug-2016 10:12 pm, "Santosh Chiniwar" <[email protected]> >>> 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. >>>> >>>> [image: Inline images 1] >>>> Bands.in code is following >>>> &bands >>>> prefix = 'Si_exc2' >>>> outdir='./' >>>> filband = 'siliconbands.dat' >>>> / >>>> >>>> >>>> and >>>> plotbands.in code is following >>>> >>>> bands.dat >>>> -6.00 10.00 >>>> bands.xmgr >>>> bands.ps >>>> 6.337 >>>> 1.00 6.337 >>>> >>>> Any help or suggestion is appreciated. >>>> >>>> I am looking for band structure plot as following. >>>> [image: Inline images 2] >>>> >>>> I have used macbook and used preview to open bands.ps in Mac OsX. >>>> >>>> Thank you >>>> >>>> >>>> >>>> >>>> >>>> >>>> >>>> >>>> >>> >
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