[Pw_forum] Problem in Finding x.kpath file in pwtools
sclauzer at sissa.it
Mon Dec 13 12:36:27 CET 2010
I think that kpoints.x in pwtools does a different thing. It generates a regular b1 x n2 x n3 grid of k-points (reduced by the symmetry of the Bravais lattice) which can be used to sample the BZ. It is not meant to generate a path in k-space (i.e. a sequence of points that can be used to plot a band structure).
Il giorno 13/dic/2010, alle ore 12.24, 改王之王改王之王 ha scritto:
> I always use "xcrysden" to generate high symmetry k-point and then use this "bk.exe" (I have upload file)to generate all k-point which is along high symmetry.I never use pwtool,butI guess it may be the "kpoint.x". _______________________________________________
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§ Gabriele Sclauzero, EPFL SB ITP CSEA
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