From what I’ve seen, the code only prints the diagonal components (ε_xx, ε_yy, ε_zz) in the output.
From the manual:
offdiag: calculation of diagonal and off-diagonal components of dielectric tensor. In addition to the standard output the code produces one file for each component of the dielectric tensor (i.e. epsxy.dat), each file contains real and imaginary part of the tensor component.
I was wondering whether there is any option or input flag that allows calculation of the off-diagonal terms, or if |epsilon.x| is limited to the diagonal components only.Best regards Md Jahid Hasan PhD student, Mechanical Engg., University of Maine _______________________________________________________________________________ The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare. -------------------------------------------------------------------------------- Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
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_______________________________________________________________________________ The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare. -------------------------------------------------------------------------------- Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
