[Pw_forum] how to get kopint from xcrysden
sclauzer at sissa.it
Mon May 2 10:15:52 CEST 2011
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
P.S.: please supply your affiliation
> Thank you all for your support.
> Adebambo Paul Olufunso.
> Pw_forum mailing list
> Pw_forum at pwscf.org
§ Gabriele Sclauzero, EPFL SB ITP CSEA
PH H2 462, Station 3, CH-1015 Lausanne
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