Dear expert, Thank you so much for helping me. But can you tell me why many imaginary frequencies appears in my Gamma point calculation? And how to remove these imaginary frequencies? These are my scf.in file, ph.in file and ph.out file. (I just use the experimental crystal parameters and do not optimize.)
Thank you again. Best, Ziming Fang. 在2017-11-10，Lorenzo Paulatto <paul...@gmail.com>写道: -----原始邮件----- 发件人： Lorenzo Paulatto <paul...@gmail.com> 发件时间: 2017年11月10日 星期五 写道: [pw_forum@pwscf.org] 主题： Re: [Pw_forum] Pseudopotential in calculation of interatomic force constants. 在 2017-11-10 20:30:26，Lorenzo Paulatto <paul...@gmail.com> 写道： Thank you so much for helping me. But can you tell me why many imaginary frequencies appears in my Gamma point calculation? And how to remove these imaginary frequencies? These are my scf.in file, ph.in file and ph.out file. (I just use the experimental crystal parameters and do not optimize.)
scf.in
Description: Binary data
ph.in
Description: Binary data
ph.out
Description: Binary data
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