[QE-users] SCF potential in Born effective Charge

Shubham Patel spatelphy at iitkgp.ac.in
Fri Nov 14 11:41:13 CET 2025


Dear developers and Experts,

Is it possible to collect/extract the dV^KS/du term as shown in the picture attached using QE-PHonon? This is a formula for calculating the Born effective charge. I am sure this data is stored somewhere (most probably in the binary files *.dvscf). If someone knows how can I collect this data, and if there is any utility in QE please let me know. I would really appreciate the help.

Thank you very much.

Sincerely,
Shubham Patel
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Screenshot 2025-11-14 103740.png
Type: image/png
Size: 36956 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20251114/fa0dea58/attachment.png>


More information about the users mailing list