[DFTB-Plus-User] SK tables for As-O and As-C

[Ganapati Natarajan]

Dear All,

I need parameters for As-O and As-C interactions.
The available chalco and hybrid SK sets on dftb.org only  have As-S-H
and Ga-As-S-H
interactions. I could not find any other references in the literature.
Please advise on how to obtain or on the method to generate As-O and
As-C
parameters.

Regards,
Gana
--
Dr. Ganapati Natarajan | Principal Scientist| International Centre for
Clean Water (ICCW)
An IIT Madras initiative
B-block, Second floor, IITM Research Park
Chennai, Tamil Nadu
India
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