[Wannier] several problems
nafiserb at gmail.com
Mon Mar 3 07:25:10 CET 2008
I have several problems.
1)How can I choose centre of projections?
2) How can I underestand when Wannier functions are well behave?
Is criterion ,compare the wannier interpolated bandstructure with the full
pwscf bandstructure ?
I run several examples
3)In first example, in example/example1 directory ,centre of
projection is on the As atom.
in this state ,bandstructure have oscillation.but when i get centre of
projection on the Ga atom,
band is good and resemeble pwscf bandstructure .
4)I have another problem , when I generate *.xsf and plot wannier function
for si(in tutorial_files/w90-ex1) and also for GaAs(in
example/example1) ,my wannier function isn't
simalar to your Gallary. what is problem?
Thanks a lot.
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