[QE-users] Error related to point group symmetry

[Anindya Bose]

Dear Experts,
I am facing a problem with point group symmetry error.Actually While doing
the vc-relax and scf calculation of Graphene, my relax.out and scf.out file
gives wrong point group information D_2h(mmm) rather than d3h(the correct
one) and even my scf.out and ph.out showing a wrong point group information
C_s(m).

The results are enclosed in the following(relax.out)

    point group C_s (m)
     there are  2 classes
     the character table:

       E     s
A'     1.00  1.00
A''    1.00 -1.00

     the symmetry operations in each class and the name of the first
element:

     E        1
          identity
     s        2
          inv. 180 deg rotation - cart. axis [0,0,1]


I have tried a lot to change my structure but I am still unable to resolve
this issues.If anyone faced the same issue related to point group symmetry
error then please help me to solve this difficulty.I will be waiting for
the response.

Thanks and regards,
Anindya Bose
Research Fellow,
Indian Institute of Information Technology Allahabad.
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