[QE-users] Phonon calculation does not finish

徳山和映 ikau09zak15 at icloud.com
Mon Mar 10 10:04:10 CET 2025


Dear QE users

After running an SCF calculation using pw.x, I attempted a phonon calculation using ph.x based on the SCF results, as shown in the attached files.
However, even after running the phonon calculation for an entire day, it has not completed.
Is this simply due to insufficient computation time, or could there be something wrong with my input files?

I would greatly appreciate any advice or guidance on this matter.

Thank you very much for your time and assistance.

Best Regards,
Kazuaki Tokuyama


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20250310/cbe77c4e/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: scf.in
Type: application/octet-stream
Size: 3955 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20250310/cbe77c4e/attachment.obj>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20250310/cbe77c4e/attachment-0001.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: ph.out
Type: application/octet-stream
Size: 16409 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20250310/cbe77c4e/attachment-0001.obj>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20250310/cbe77c4e/attachment-0002.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: ph.in
Type: application/octet-stream
Size: 268 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20250310/cbe77c4e/attachment-0002.obj>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20250310/cbe77c4e/attachment-0003.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: scf.out
Type: application/octet-stream
Size: 16263 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20250310/cbe77c4e/attachment-0003.obj>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20250310/cbe77c4e/attachment-0004.html>


More information about the users mailing list