[Pw_forum] pwscf generates duplicate k-points

[Cohen, Ronald]

The attached input gives duplicate k-points:
with
K_POINTS automatic
2 2 2 0 0 0

number of k points=    12  gaussian smearing, width (Ry)=  0.0020
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   0.1250000
        k(    2) = (   0.0000000   0.0000000  -0.4859086), wk =   0.1250000
        k(    3) = (   0.0000000  -0.5000000   0.0000000), wk =   0.2500000
        k(    4) = (   0.0000000  -0.5000000  -0.4859086), wk =   0.2500000
        k(    5) = (  -0.5000000  -0.5000000   0.0000000), wk =   0.1250000
        k(    6) = (  -0.5000000  -0.5000000  -0.4859086), wk =   0.1250000
        k(    7) = (   0.0000000   0.0000000   0.0000000), wk =   0.1250000
        k(    8) = (   0.0000000   0.0000000  -0.4859086), wk =   0.1250000
        k(    9) = (   0.0000000  -0.5000000   0.0000000), wk =   0.2500000
        k(   10) = (   0.0000000  -0.5000000  -0.4859086), wk =   0.2500000
        k(   11) = (  -0.5000000  -0.5000000   0.0000000), wk =   0.1250000
        k(   12) = (  -0.5000000  -0.5000000  -0.4859086), wk =   0.1250000
with
K_POINTS automatic
2 2 2 1 1 1

  number of k points=     2  gaussian smearing, width (Ry)=  0.0020
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.2500000   0.2500000   0.2429543), wk =   1.0000000
        k(    2) = (   0.2500000   0.2500000   0.2429543), wk =   1.0000000

                       cryst. coord.
        k(    1) = (   0.2500000   0.2500000   0.2500000), wk =   1.0000000
        k(    2) = (   0.2500000   0.2500000   0.2500000), wk =   1.00000

This is very sick! Hard to believe for something so simple. This
happens on two different machines and builds and versions. Is there a
fix? Thank you!


Ronald Cohen



---
Ronald Cohen
Geophysical Laboratory
Carnegie Institution
5251 Broad Branch Rd., N.W.
Washington, D.C. 20015
rcohen at carnegiescience.edu
office: 202-478-8937
skype: ronaldcohen
https://twitter.com/recohen3
https://www.linkedin.com/profile/view?id=163327727
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