>Are hybrid functionals allowed with noncollinear magnetism / >spin-orbit interactions? I am not sure
I am not sure... I haven't found any contraindication.. However, it seems that if I want to do calculations with Pb, I am forced to set lspinorb = .true., noncolin = .true., otherwise I get errors. Carlo _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
