[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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