?lvaro Alves wrote:
> Hello I am doing a scf calculation system and uses degauss = 0.003 and
> needed change it paar 0001. With this new value, the calculation does
> not converge. What may be happening?
>
> Regards, Alvaro
>
>
>
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Is there any general rule of setting parameters to make the SCF
calculation converge. Thanks.
