[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