[QE-users] Which matrix the 'fildvscf' tag will calcualte?

半城烟沙 1364263610 at qq.com
Sun May 11 12:08:03 CEST 2025


Dear,
I want to now which matrix the 'fildvscf' tag will calcualte. The <nk|∂ Vscf / ∂τ |n'k+q> or  <nk|∂ Vscf / ∂τ |n'k+q> * e , where τ is atom displacement and e is the eigenvector of phonon. Anyone can help me?
Best regards,
Jiang




 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20250511/834b838d/attachment.html>


More information about the users mailing list