[Wien] mbjlda approximation and experimental lattice constant

[Sahra Sahraii]

Dear WIEN2k experts
I want to use the mbjlda approximation to obtain the band
structure of a semiconductor compound, but I don’t know how I can choose the
lattice constant. when I studied some articles about this compound, I found
that the experimental lattice constant is chosen when the mbjlda approximation
is used, Is it a force ( using the experimental lattice constant during the
mbjlda approximation) or I can obtain the optimized lattice constant and then
calculate the band structure using this lattice constant?


Best Regards


 sahra sahraii
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