thanks for help king Regards
2014-04-22 5:13 GMT+01:00 Filipe Camargo Dalmatti Alves Lima < flima at if.usp.br>: > Do you want to plot the band structure? > The answer might be the Xcrysden. ( http://www.xcrysden.org/ > <http://www.xcrysden.org/>) It can help you build the k point path to > calculate the bands. > The procedure to achiev it is: 1) Run a SCF calculation and make sure the > electronic properties are converged. 2) Run a NSCF restarting from the SCF > you made and use the k point path suggested by Xcrysden. > > or > > Do you want to know the number o K points generated by the Monkhorst-Pack? > Check the Monkhorst pack original article: > http://journals.aps.org/prb/abstract/10.1103/PhysRevB.13.5188 > > Regards, > > Filipe > > > On Mon, Apr 21, 2014 at 5:34 PM, Halima Zaari <halimazaari at gmail.com>wrote: > >> Dear quantum espresso users and developers >> can you give me a help to use k_point.x to generate a path from the >> number of k_point >> for expample in the case of 4*4*4 how i can find the direction of k_vector >> thank you in advance >> >> -- >> H.ZAARI >> PhD Student in laboratory of magnetism and physics of high energy >> Faculty of Sciences in Rabat - Morocco >> Email: >> * halimazaari at gmail.com <boujnah.mourad at gmail.com>* >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > > -- > _________________________________________ > Filipe Camargo Dalmatti Alves Lima > PhD Student > University of S?o Paulo, Physics Institute, Materials Physics Department, > Nanomol Group, Brazil. > Phones: (11) 3091-6881 (USP) > (11) 97408-2755 (Vivo) > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- H.ZAARI PhD Student in laboratory of magnetism and physics of high energy Faculty of Sciences in Rabat - Morocco Email: * halimazaari at gmail.com <boujnah.mourad at gmail.com>* -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140422/359a46b3/attachment.html
