Dear PWscf users,
I am doing some phonon calculations in a wurtzite material having space group P6_3 mc (186). Typically, for this structure, we should get 12 phonon branches grouped into the 2E_2 + 2E_1 + 2A_1 + 2B_1 irreducible representation at gamma point. However in my phonon output file, I get 8 phonon modes which are marked as A' and rest 4 as A'' which fall into some other point groups. I am using espresso-3.2.3. Could anyone please explain what is going wrong? Moreover I would like to know how one can determine the symmetry labels of a given phonon mode from the pwscf outputs without using the standard symmetry analizer included in espresso-3.2 onwards. I am new to this pwscf code and to phonon calculations as well. So I would highly appreciate some elaborate suggestion/explanation in this matter. Thanks _____________________________ Dr. Munima B. Sahariah PI, DST Fast Track Project IASST, Guwahati Assam, INDIA ----------------------------------------------------------------------------------- This email was sent from IIT Guwahati Webmail. If you are not the intended recipient, please contact the sender by email and delete all copies; your cooperation in this regard is appreciated. http://www.iitg.ac.in
