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.cant...@spin.cnr.it> wrote: > > On 11 Jul 2017, at 13:23, Uttam Paliwal <uttam...@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.cant...@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 > > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum >
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