The ABINIT Users Mailing List ( CLOSED )

[blazej@phys.upb.de]

Dear abinit-Users,

I would like to know the resulting density of the k-point mesh in reciprocal 
space in my calculation. 

The problem I have is the following:
I use: 
kptopt 1 
ngkpt 1 1 1
to generate my k-points. As far as I understood from the ngkpt description, 
this means that a single k-point is generated, however, in the irreducible BZ 
(Is this correct?). Inside the output file I can only find the size of the 
first BZ, but there are symmetry operations allowing to reduce to a smaller 
irr. BZ. 
In order to calculate the k-point density (kpden), one needs therefore the 
size of the irr. BZ (irrBZ):
kpden = nkpt/irrBZ
where the number of generated k-points (nkpt) is 1 in my case. 

Is there an easy way to find out the size of the irreducible BZ or is there 
maybe another possibility to get the k-point density?

Thanx a lot in advance,
Blazej