Dear users, I have a question regarding symmetry. I provided my structure with the space group P-62m , recognizing 12 symmetry. However, the symmetry changed to 4 during the variable cell relaxation. What is the main problem? How can I fix the problem? One more question: I tried to use the "press_conv_thr" keyword during the variable cell relaxation to keep the pressure on my structure in 160 GPa. However, it did not apply. How should I fix this problem?
Thanks in advance. Bests, M.Abbasnejad -- --------------------------------------------------------- Mohaddeseh Abbasnejad, Room No. 323, Department of Physics, University of Tehran, North Karegar Ave., Tehran, P.O. Box: 14395-547- IRAN Tel. No.: +98 21 6111 8634 & Fax No.: +98 21 8800 4781 Cellphone: +98 917 731 7514 E-Mail: m.abbasnejad at gmail.com Website: http://physics.ut.ac.ir --------------------------------------------------------- -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130511/8d524fa0/attachment.html
