[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
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