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 showing a wrong point group information C_s(m). 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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