[DFTB-Plus-User] Relaxation of SiNW

[n.salami at srbiau.ac.ir]

> ==============================================================================
> ==
> ==   Density Functional based Tight Binding with a lot of extensions
(DFTB+)
> ==
> ==                          Unofficial release (r4304)
> ==
> ==                            (ParserVersion = 3)
> ==
> ================================================================================
>
>
> ********************************************************************************
> ** Parsing and initializing
> ********************************************************************************
>
> Interpreting input file 'dftb_in.hsd'
> --------------------------------------------------------------------------------
> ERROR!
> -> Incompatible repulsive spline intervals for specie pair  1- 2.

> Apparently your SK-files do not fit to each other. The repulsives in
> H-Si and Si-H seem to be different.





Dear Dr. Bálint Aradi

Tanks for your response. I have used Si-Si.skf, Si-H.skf, H-Si.skf and
H-H.skf from pbc-0-1.tar.gz in the website for relaxation of SiNW, but I
faced to this error,Would you guide me to solve this problem?

Tanks in advance,
Best Regards,
Nadia Salami