[Pw_forum] tddft and soc

Mortaza Aghtar meisam.a63 at gmail.com
Mon Jan 30 14:40:59 CET 2017


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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