[Wannier] Cubefile shift
Jiri Houska
jhouska at kfy.zcu.cz
Fri Dec 18 09:48:24 CET 2009
Dear all,
when printing cubefiles using wannier90 and
wannier_plot=.true.
wannier_plot_supercell = 2 or 3 (did not matter)
wannier_plot_format = cube
, after visualization (VMD) I realized that atomic positions and the
orbital positions are obviously shifted (of non-integer times cell
size). The shift appears to be different for different MLWFs. Please
is is avoidable and/or is there a known reason for that?
Thanks!
Jiri Houska
University of West Bohemia
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