[DFTB-Plus-User] Is DFTB+ recommended to study H2 adsorption?

[siddheshwar chopra]

Dear Balint,
I want to know if it is recommended to use DFTB+ (with dispersion
correction) to study hydrogen adsorption on a metallic molecule/periodic
sheet?
Also, while doing that, can I use the SK files from different folders mio,
trans etc. in one go? This is the first time I am trying to use DFTB+.
Is there any problems to be addressed like basis set superposition error in
DFTB+, which is recommended in DFT while studying such systems?


Best Regards,

-- 
*Dr. Siddheshwar chopra,*


*M.Sc., Ph.D (Physics)Assistant Professor (Physics),*
*Amity University, Noida, India.*
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