[Pw_forum] Could not find the mode symmetry after phonon frequency calculation of gamma point

黄志硕 zhishuohuang at gmail.com
Tue Jan 9 15:22:49 CET 2018


Dear Prof. Sitangshu Bhattacharya,

Thank you for your quick reply and these advice on how to eliminate imaginary frequency. 

But it is not reasonable for that pseudo-potential could influence symmetry of modem, and it seems to me that the symmetry of vibration mode is only determined by the symmetry of the crystal. I wonder if the symmetry of the crystal changed when you used a different pseudo-potential to relax the crystal cell?

Best regards
Zhishuo Huang
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