[Pw_forum] about kpoints.x

Aritz Leonardo swblelia at sw.ehu.es
Wed Feb 1 11:14:40 CET 2006


Hello all.

I would like to know if the program kpoints.x is 100% reliable.

I ask this question because if I create the following grid with
kpoints.x:
 
     bravais lattice  >> 4
     filout [mesh_k]  >> gg
     enter celldm(3)  >> 6.5
     mesh: n1 n2 n3   >> 14 14 1
     mesh: k1 k2 k3 (0 no shift, 1 shifted)  >> 1 1 0
     write all k? [f] >> f

     # of k-points   ==    56  of   196

the total sum of the individual weights of each kpoint is 196.
While if I create the same grid from an scf calculation the total sum
is:2

So the question is, is there any problem behind or it is just a
normalization issue.

thanks a lot!
Aritz







More information about the users mailing list