Which K_POINTS did you choose when you did your bands calculation with pw.x?
Andrew Supka PhD Student - Science of Advanced Materials Central Michigan University On Sep 3, 2016 5:31 AM, "Santosh Chiniwar" <santosh.ch...@gmail.com> wrote: > 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.ch...@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.ch...@gmail.com> >> wrote: >> >>> May get any reply from anybody. >>> Thank you >>> >>> On 02-Sep-2016 9:40 am, "Santosh Chiniwar" <santosh.ch...@gmail.com> >>> wrote: >>> >>>> May I accept any reply please >>>> >>>> thanks and kind regards >>>> iquantware >>>> >>>> On 31-Aug-2016 10:12 pm, "Santosh Chiniwar" <santosh.ch...@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. >>>>> >>>>> [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 >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>> >> > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum >
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