Dear NH,
Even I'm not familiar with convergence problem, especially in the
surface case, I feel you'd better take care of the DM.NumberPulay,
DM.MixingWeight, DM.NumberKick, DM.KickMixingWeight, ElectronicTemperature.
2007/11/15, N H <[EMAIL PROTECTED]>:
>
> Hello dears
>
> Im facing problems to reach the convergence of a surface ... the
> energy diferences among the SCF steps goes crazy. When I calculate the
> same system without vacuum region, everythink is ok ... but when I
> create the surfaces the SCF goes crazy ... does anyone have some
> recomendation?!
>
> Greets
>
> NH
>
Best regards.
LY
