[Pw_forum] k points in epsilon.x

[dev sharma]

hi 2 all,

 I have one question. In epsilon.x, the k points is not automatic option.
Sir, means how to give the K points option i.e. we have to give only
irreducible k points or like for the calculation ='bands' , we have give the
path (like G{0,0,0}-->X(0.5,0,0)). If we have to give the  irreducible
points , how to calculate those points ???? can i do this , that run the
pw.x with a mesh like 4*4*4 grid  and the number of k points in the scf
output are the required k points
 like in a scf out
 number of k points=   8
                       cart. coord. in units 2pi/a_0
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   0.0312500
        k(    2) = (   0.0000000   0.0000000   0.2829528), wk =   0.0625000
        k(    3) = (   0.0000000   0.0000000  -0.5659056), wk =   0.0312500
        k(    4) = (   0.0000000   0.2500000   0.0000000), wk =   0.0625000
        k(    5) = (   0.0000000   0.2500000   0.2829528), wk =   0.0625000
        k(    6) = (   0.0000000   0.2500000  -0.5659056), wk =   0.0625000
        k(    7) = (   0.0000000  -0.5000000   0.0000000), wk =   0.0312500
        k(    8) = (   0.0000000  -0.5000000   0.2829528), wk =   0.0625000

, means i have 2 give these k points with their weight set to equal to each
other.  And in out of these i have to choose also because like 0 0 0.282 and
0 0 -0.282 will yield the same results ?? M i right ??? Please advice ????
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20091012/249510e4/attachment.htm