[Wien] Re : error lapw1 unit 18

[Gavin Abo]

The error message "can not open unit 18" seems incomplete.

I can only guess that maybe you mixed a non-spin polarized and spin 
polarized run.

See: http://zeus.theochem.tuwien.ac.at/pipermail/wien/2010-June/013366.html

You can also find some other posts on the "unit 18" error by older 
archives search at: http://www.wien2k.at/reg_user/mailing_list/

On 5/20/2012 3:39 PM, Mouna Mesbahi wrote:
> hello;
> Please I have a system in which I have a nickel atom (transition 
> material) in the optimization stage I afffiche error in lapw1 (can not 
> open unit 18) how to solve this problem please
> thank you in advance
> cordially mouna
>
> *De :* Mouna Mesbahi <mouna.mesbahi at yahoo.fr>
> *À :* "wien at zeus.theochem.tuwien.ac.at" <wien at zeus.theochem.tuwien.ac.at>
> *Envoyé le :* Vendredi 20 janvier 2012 13h36
> *Objet :*
>
> I have already tried the dituted semicondictors please i want to ask 
> you if it is obliged to pass by the generation of supercelle to add 
> the impurity
> thank you in advance
> cordially mouna Mesbahi
>
>
>
>
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