[Pw_forum] bands

[Uttam Paliwal]

this is the ploatband.in file i have run

sibands.dat
-7.0 20
sibands.xmgr
sibands.ps
6.255
1.0 6.255

what does 6.255 and fifth line 1.0 6.255 means ?

On Tue, Jul 11, 2017 at 6:41 PM, Giovanni Cantele <
giovanni.cantele at spin.cnr.it> wrote:

>
> On 11 Jul 2017, at 13:23, Uttam Paliwal <uttamphy at gmail.com> wrote:
>
> Thanks i got it. Now i have small queries
> 1. Is there any dependency between k points used in scf calculation and
> bands calculation. Or we can give k points in bands calculation independent
> of k points used in scf calculations.
>
>
> the k-points used in the scf calculation are needed for sampling the full
> Brillouin zone (so, the uniform grid has to be chosen such as to obtain
> converged results), the k-points used
> in band calculation are completely different, because they are chosen
> along a given path in the Brillouin zone.
>
> 2. Description about plotband.x input.
>
>
> run it interactively, and answer the questions
>
> 2. Can bands.dat.gnu obtained from plotband program be directly read by
> gnuplot program.
>
>
> the format is suitable for programs such as gnuplot
>
> Giovanni
>
>
>
>
> --
>
> Giovanni Cantele, PhD
> CNR-SPIN
> c/o Dipartimento di Fisica
> Universita' di Napoli "Federico II"
> Complesso Universitario M. S. Angelo - Ed. 6
> Via Cintia, I-80126, Napoli, Italy
> e-mail: giovanni.cantele at spin.cnr.it
> Phone: +39 081 676910
> Skype contact: giocan74
>
> ResearcherID: http://www.researcherid.com/rid/A-1951-2009
> Web page: http://people.fisica.unina.it/~cantele
>
>
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