[DFTB-Plus-User] Slater Koster (sk) files for Cu-C and Cu-N

Giovanni La Penna giovanni.lapenna at cnr.it
Fri May 6 15:02:02 CEST 2022


On Fri, May 06, 2022 at 11:51:44AM +0000, Elio Physics wrote:
> I am in need of Cu-C and Cu-N slater koster files. Does anyone know if there are  ready-to-use files  for these elements somewhere?
> If not, what is the simplest code to use to generate them?

There is this article:

https://dx.doi.org/10.1021/jp210409c

with the indications to get SK files (p.4, column 2).

 Giovanni La Penna

-- 
National research council of Italy
Institute of chemistry of organometallic compounds
via Madonna del Piano 10, 50019 Sesto Fiorentino (FI), Italy
http://sites.google.com/view/wwwgiovannilapennait



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