[QE-users] which dispersion correction works for spinorbit ?
milias
milias at theor.jinr.ru
Wed Apr 16 13:03:53 CEST 2025
Hello,
Is there a dispersion correction in Quantum Espresso working with
spin-orbit ?
Likewise we would need the dispersion for elements up to Z=120.
Best,
Miro
PS: BTW, we found that the xdm dispersion correction, although
implemented up to Z=120, works only with scalar relativity,
https://gitlab.com/QEF/q-e/-/issues/778#note_2453902916 .
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