Full band structure from Gamma point calculation
Xiaoming Wang
wxia... at gmail.com
Fri Sep 22 01:59:48 UTC 2017
Hello,
Is there a way to get the band structure (E~k relation) from a supercell
gamma only calculation? Or is it possible to get the gamma point orbital
energies unfolded back on a corresponding (4*4*4 supercell gamma point to
unit cell with 4*4*4 k mesh ) regular k mesh of the unit cell?
Best,
Xiaoming
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