After x spaghetti, case.energy contains the k-vectors in carthesian
coordinates and its length (inverse Bohr).
Am 30.07.2018 um 13:57 schrieb Monodeep Chakraborty:
Dear Prof. Blaha and wien2k users,
I have a question regarding the value of
k-vectors used in wien2k band structure calculation.
I have a Trigonal Unit cell which has a
space group 156. The unit cell is given
in a=b not equal c (in Hexagonal form).
Now, when I do the band structure along
M-G-L path, how should I get the values
of L, point and M point in Angstorm inverse
unit. This would help me to calculate the
Rashba coefficient.
Any help in this regard would be of immense
help to me.
Thanking you in advance.
With kind regards,
Monodeep.
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