Dear Olayinka You cannot directly extract a band structure from a scf calculation. You should already know the k- point path connecting high-symmetry points (paths for cubic and hexagonal systems can be found here: http://cst-www.nrl.navy.mil/bind/kpts/index.html), and perform a non-self-consistent calculation to produce a band structure, as shown in yourQE/examples/example01. HTH
Giuseppe On Thursday 29 March 2012 07:26:56 Olayinka, Samson A. wrote: > I need to extract kpoints from my scf calculation in order to get the > K_POINTS for my bands calculation. > > > Olayinka Samson > Ph.D student > University of Benin,Edo State, nigeria > solayinka at biu.edu.ng > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- ******************************************************** - Article premier - Les hommes naissent et demeurent libres et ?gaux en droits. Les distinctions sociales ne peuvent ?tre fond?es que sur l'utilit? commune - Article 2 - Le but de toute association politique est la conservation des droits naturels et imprescriptibles de l'homme. Ces droits sont la libert?, la propri?t?, la s?ret? et la r?sistance ? l'oppression. ******************************************************** Giuseppe Mattioli CNR - ISTITUTO DI STRUTTURA DELLA MATERIA v. Salaria Km 29,300 - C.P. 10 I 00015 - Monterotondo Stazione (RM) Tel + 39 06 90672836 - Fax +39 06 90672316 E-mail: <giuseppe.mattioli at ism.cnr.it>
