[Wien] pi/a and Kmax

[fatemeh.mirjani]

Dear Prof.Blaha;

What is the unit of the pi/a which should be multiplied in reciprocal lattice vectors?
I have a problem with pi/a that you mentioned in your answer.

For example for k=0 , the bigget reciprocal lattice vector is  G=(2 2 4) in case.output1. 
Rmt=2.2 
Rmt*Kmax=7 ----> Kmax=3.18
a=10.2 Bohr
|G|=4.8989794
(pi/a)*|G|=1.508

(2pi/a)*|G|=3.01
so with (2pi/a) the result is closer to Kmax!!!


 

Thanks in advance,
Fatemeh