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

Shivesh Sivakumar shiveshsivakumar at gmail.com
Tue May 12 07:34:50 CEST 2020


Hello users,

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
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