[QE-users] Momentum matrix element on PBE+U

Shivesh Sivakumar shiveshsivakumar at gmail.com
Wed May 13 08:14:25 CEST 2020


Hello users,

Sorry for the repost, but I think my question went unnoticed.
Is there a way to calculate the momentum matrix element in PBE+U on QE? I
encounter this error: 'Error in routine write_p_avg (1): write_p_avg not
working with LDA+U'. Is there a way to circumvent this on Quantum Espresso?

Best,
Shivesh Sivakumar
University of Washington
Seattle-WA, 98105
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200512/510f8fa3/attachment.html>


More information about the users mailing list