[Wien] Generating the klist for Si in perpendicular direction to Gamma-X lines
Bara abujafar
m1abujafar at yahoo.com
Sat Nov 16 10:40:29 CET 2019
Dear Wien2k users and developers,Hi!I am interested in calculating the effective mass of Silicon(Si) in perpendicular direction(perpendicular to gamma-X high symmetry lines)(light transverse effective mass). My question is how to generate the klist for calculating the band structure between two generic k-points using XcrysDen program, for example Si in diamond structure? The band structure for Si is an indirect band gap. The minimum conduction band is between Gamma & X high symmetry lines. Thanks a lot in advance.With best regardsMohammed Abu-Jafar
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