Full band structure from Gamma point calculation

Xiaoming Wang wxia... at gmail.com
Fri Sep 22 01:59:48 UTC 2017


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? 


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