[Pw_forum] about Phonon results
xwzhang at uestc.edu.cn
xwzhang at uestc.edu.cn
Fri Jun 13 20:57:48 CEST 2008
Dear my pwscf friends,
Recently, I am trying to do phonon calculations in Heusler. As a first step, I tried to reproduce the results of a paper by Zayak(PRB, 72, 054113, 2005). I choose Ni2MnGe as an example. To my surprise, the acoustic branches at Gamma point gives a frequency of about 1 THz, which should be zero. Other branches agree with the published data.
I wonder what might be the reason? I attached my scf, and phonon input files, and the phonon out put files.
I have another question about the output: What is the difference between the total magnetic moment and the absolute magnetic moment.
Thank you and wish you a happy weekend!
Wenxu Zhang
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