Thanks a lot.
On Fri, Jan 15, 2016 at 3:53 PM, Elias Assmann <elias.assm...@gmail.com> wrote: > On 01/15/2016 03:20 AM, Yundi Quan wrote: > > I used lapw7 to generate case.psink which contains the wave > > function on a grid. Is there a program available to plot the data? > > I know that the wien2wannier has wplot2xsf routine which converts > > the case.psink and case.psiarg files into case.xsf compatible with > > xcrysden. > > Have you tried using wplot2xsf? I haven't, but as far as I know, the > formats output by lapw7 and wplot are the same, or at least very > similar, so there should be a good chance you can use wplot2xsf. > > One important thing to keep in mind is that wplot2xsf discards the > phase except for the sign. > > Otherwise, lapw7 should print the number of points per direction and > the order (x changes fastest, z slowest, I believe). Knowing this, > you could re-order them so that your visualization program of choice > understands. Another alternative would be to use a manual grid > (case.grid file) where the order is up to you. > > HTH, > > Elias > > -- > Elias Assmann > > Wien2Wannier: maximally localized Wannier functions > from linearized augmented plane waves > > http://wien2wannier.github.io/ > https://github.com/wien2wannier/wien2wannier/ > > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html > >
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