[DFTB-Plus-User] Na spin coupling constants

Hargreaves, Laura laura.hargreaves.14 at ucl.ac.uk
Thu May 16 04:10:59 CEST 2019

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Hello,

Have the spin coupling constants for Na been calculated? 

I cannot find the publication for the mat-sci-o2 Na-O parameter set, is this also available?

Many thanks,

Laura

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