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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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
Hello,
Iam Priyanka, recently started using pwscf
version(QuantumEspesso-4.0.1)
I would like to generate the list of k-points by using utility program
X.KPATH in PWTOOLS.
(Mentioned in
http://www.tcd.ie/Physics/People/Claude.Ederer/teaching/PG5009/exercise3.pdf)
But I could
?The exe fileis :
?kpoints.x
regards
> Hello,
>
> Iam
Priyanka, recently started using pwscf
>
version(QuantumEspesso-4.0.1)
> I would like to generate the list
of k-points by using utility program
> X.KPATH in PWTOOLS.
> (Mentioned in
>
http://www.tcd.ie/Physics/People/Claude.Ederer/t
On Dec 13, 2010, at 7:42 , priyanka goud wrote:
> I would like to generate the list of k-points by using utility program
> X.KPATH in PWTOOLS.
it is not part of the "official" QE distribution
P.
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Paolo Giannozzi, Dept of Chemistry&Physics, Univ. Udine
via delle Scienze 208, 33100 Udine, Ital
