[QE-users] ph.x calculation about dynamical matrix file

yifeng zhao yzfyz23 at gmail.com
Wed Aug 26 12:55:40 CEST 2020


Dear everyone,
    Recently, I used pwscf to calculate the phonon frequency, and I got the
dynamical matrix file. Now i want to know the direction of vibration for
the atoms, and there are six rows listed in the file that displays in
accessory, and  I want to know the specific meaning, please help me. Thanks
a lot.
    Regards!
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200826/e71cd941/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: ????_20200826185416.png
Type: image/png
Size: 10152 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200826/e71cd941/attachment.png>


More information about the users mailing list