Il giorno 01/mag/2011, alle ore 13.24, Paul Funso ha scritto: > Good day all, I am working on orthorhombic system, after doing the graphical > selection of k-path from the primitive Brillouin zone, I want to use xcrysden > to generate some explicitly generated k-points for this system, which of the > points are mine going to put into consideration in order to get the explicit > generated k-points that will work for this system.
I'm sorry, but I'm having a hard time in trying to understand the above sentence. What do you need exactly? Could you reformulate more clearly, please? Once you have selected the k-point path in the visual tool of xcrysden, you just need to export the points in the .pwscf format and append those lines after the K_POINTS card of pw.x HTH GS P.S.: please supply your affiliation > Thank you all for your support. > > Adebambo Paul Olufunso. > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum ? Gabriele Sclauzero, EPFL SB ITP CSEA PH H2 462, Station 3, CH-1015 Lausanne -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110502/dbd083df/attachment.htm
