[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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