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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