[Wien] Force Convergence criterion during SCF

[Duy Le]

Maybe due to the symmetry, there is no force.
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Duy Le
PhD Student
Department of Physics
University of Central Florida.

"Men don't need hand to do things"



2010/1/13 Ghosh SUDDHASATTWA <ssghosh at igcar.gov.in>:
> Dear Wien2k users,
>
> I did SCF using both charge and energy convergence criterion and SCF
> converged successfully.
>
> I again applied force convergence criterion of 1mRy/atom and it still
> converged but with a comment in the beginning
>
> “Force convergence not possible, Forces not present.
>
> When I tried to analyse the SCF file, it did not give any value of FOR
>
>
>
> Suddhasattwa
>
>
>
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