Dear all, Is it possible to do TD-DFT simulations in the presence of spin-orbit coupling? If yes, how is it done? Is it a regular scf SOC calculation and using turbo_lanczos.x consequently?
Best regards, Mortaza -- Dr. Mortaza Aghtar Postdoctoral research fellow Ulm Universität Institut für Theoretiche Physik Albert-Einstein-Allee 11 89081 Ulm Office: 405/O25 Telephone: (+49) 731-50-22905 Group Page: http://qubit-ulm.com/
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