[Pw_forum] Question on how to trace a specific band on nonspecail k-points.
张 洪彬
leoant21 at hotmail.com
Tue Jun 21 04:42:00 CEST 2005
Dear all:
I am trying to plot FermiSurface using .XSF format file, however, I find
it difficult to get the energy value for k-points defined in the .XSF as
general grid: you see, when one plot band structure, one get the energy
values for serial special k-points, and get them proceeded by bands.x and
plot the band structure through plotband.x; however, as to "general grid"
defined in reciprocal space in .XSF file, though I can calculate a lot of
energy values, how can I trace the energy values belong to specific band on
the non special k-points, since energy may vary greatly?
Or is there any good way to plot the Fermi Surface of realistic
materials?
Thanks in advance.
Regards.
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