Dear QE users,
Is it possible to get the matrix element < PSI | H_{SO} | PSI > or its
modulus squared out of a Quantum ESPRESSO calculation or using one of
its native post-processing tools? Here PSI is a well defined Bloch state
of a given band index and k point and H_{SO} is the spin-orbit component
of the DFT Hamiltonian.
Thanks in advance to whomever will answer.
Cheers
--
Dr. Lorenzo Sponza
Chargé de Recherche au CNRS
Université Paris-Saclay, ONERA, CNRS Laboratoire d'étude des
microstructures (LEM)
29 Avenue de la division Leclerc, 92322 Châtillon
Tel: +33146734464
ETSF Research Team Leader
European Theoretical Spectroscopy Facility
https://sites.unimi.it/etsf/
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