| Re: units in the band plots ( No.1 )|
- Date: 2016/06/05 11:24
- Name: T. Ozaki
The k-vector is given by
k = ka*ra + kb*rb + kc*rc
with the reciprocal vectors ra, rb, and rc defined by
ra = 2*pi/V b x c
rb = 2*pi/V c x a
rc = 2*pi/V a x b
where x stands for cross product, and V is the volume of Brillouin given by a.(b x c).
Then, k is defined in unit of 1/Bohr, not 1/A as you considered.
Once you figure out the relations above, it is easy to convert them.