[DFTB-Plus-User] basis set for Li in dftb+

[Шунаев Владислав]

Dear all!
 
Recently I’ve tried to start simulation of lithium-ion batteries. Unfortunately, there is no basis set for Li at the site  https://dftb.org/parameters/download
 
Though, there are papers that developed such sets for Li:  https://doi.org/10.1002/tcr.201800141 ,  https://doi.org/10.1063/1.5143190 ,  https://doi.org/10.1021/acs.jpcc.8b01839
 
Is there any possibility to find skf-files for Li?
 
--
Best regards,
Shunaev Vladislav
PhD, Saratov University
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