From m.tesseracted at gmail.com  Wed May  9 22:02:33 2018
From: m.tesseracted at gmail.com (A L)
Date: Wed, 9 May 2018 16:02:33 -0400
Subject: [xcrysden] Plotting specific atoms from xsf file
Message-ID: <CALw_BsygL4bikXz981tgGv_9FHQMQy5eVEU4tm6nZGkLJGC4BA@mail.gmail.com>

I'm trying to reproduce figure 2, https://journals.aps.org/
rmp/article/10.1103/RevModPhys.84.1419/figures/2/medium from the 2012 Rev.
Mod. Phys. MLWF paper using the wannier90 example01 as a starting point. I
can't figure out how to make xcrysden plot the configuration shown in the
paper, this is the closest I have gotten so far https://i.imgur.com/
CTn9Z3O.png

The MLWF iso surface is only on a bond at the edge of the atoms shown, not
at the center, and when I increase the number of units repeated I end up
with more than I want for any configuration I choose. Is it possible to
repeat the number of units drawn and then delete/not show some atoms I
choose? Also can I move which bond an iso-value plot is centered on? Cheers,

Aaron Mahler
Duke University
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