<div dir="ltr"><div>Dear Experts,</div><div>While doing the phonon calculation of
Graphene,I am getting a symmetry error in my ph.out files.Initially the
file ph.out showing the correct symmetry of the material(e.g. Graphene
D_6h point group symmetry) but after some interval it is showing some
erroneous point group symmetry D_2h.I am very much confused with this
absurd result.What should I do here?I have played with conv_threshold (tried to reduce)but I was unsuccessful.How can I resolve this problem? A
copy of ph.out file is enclosed with this mail. I will be waiting for a
positive suggestion.</div><div><br></div><div>Thanks and regards,</div><div>Anindya Bose</div><div>Research Fellow,</div><div>Indian Institute of Information Technology,Allahabad</div><br></div>