Thank you Dr. Mattioli, I missed it some how.
On Wed, Jun 21, 2017 at 7:11 PM, Giuseppe Mattioli < giuseppe.matti...@ism.cnr.it> wrote: > > Dear B S Bhushan > Manuals often contain answers! > > Variable: nbnd > > Type: INTEGER > *Default*: for an insulator, nbnd = number of valence bands > (nbnd = # of electrons /2); > for a metal, 20% more (minimum 4 more) > Description: number of electronic states (bands) to be calculated. > Note that in spin-polarized calculations the number of > k-point, not the number of bands per k-point, is doubled > > HTH > Giuseppe > > P.S. Please sign all the posts to the forum with name and affiliation. > > On Wednesday, June 21, 2017 07:02:59 PM B S Bhushan wrote: > > Dear experts, > > > > What happens if the nbnd option is not mentioned in the script ?. > > Do the code considers all possible valence bands in such situation ?. > > > > Thank you very much for your time. > > > > with sincere regards, > > B S Bhushan > > ******************************************************** > - Article premier - Les hommes naissent et demeurent > libres et égaux en droits. Les distinctions sociales > ne peuvent être fondées que sur l'utilité commune > - Article 2 - Le but de toute association politique > est la conservation des droits naturels et > imprescriptibles de l'homme. Ces droits sont la liberté, > la propriété, la sûreté et la résistance à l'oppression. > ******************************************************** > > Giuseppe Mattioli > CNR - ISTITUTO DI STRUTTURA DELLA MATERIA > v. Salaria Km 29,300 - C.P. 10 > I 00015 - Monterotondo Stazione (RM), Italy > Tel + 39 06 90672342 - Fax +39 06 90672316 > E-mail: <giuseppe.matti...@ism.cnr.it> > http://www.ism.cnr.it/en/staff/giuseppe-mattioli/ > ResearcherID: F-6308-2012 > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum >
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