[DFTB-Plus-User] spin constant + dataset
toufik esssakhri
tousak at hotmail.fr
Wed Feb 3 10:47:44 CET 2021
Dear all,
Sorry for posting again
1- I am interested in the study of a system containing F and Ti atoms but I can not find any dataset that contains these two elements. Is there any way to proceed?
2- Could you, please, provide the spin constants of Ti atom?
Best regards,
Taoufik
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