[Wien] What does it mean the commment " Unmatched " during SCF cycle

[Xavier Rocquefelte]

Dear Colleague

The option "-o" does not exist.

It seems that you wanted to put "-so" ... Is it the case ?

Cheers

Xavier


Le 02/11/2016 à 14:24, Abderrahmane Reggad a écrit :
> Thanks Dr Assmann for your quick reply
>
> I repetad the calculation and I same problem and I want to note that I 
> modified the optimization script as follows:
>
> runsp_c_lapw -orb -o -ec 0.0001
>
> Perhaps it's related to the use of "runsp_c_lapw " because it's the 
> first time I used it
>
> I want to know if it's just a remark or an error.
>
> Best regards
> -- 
> Mr: A.Reggad
> Laboratoire de Génie Physique
> Université Ibn Khaldoun - Tiaret
> Algerie
>
>
>
>
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