[Wien] optimization !

[Gavin Abo]

Did you comment "run_lapw" line in step 2?

On 4/24/2013 7:53 AM, ben amara imen wrote:
> hello!
> I work on compound which have a spinel crystal structure and I'm 
> trying to optimize its lattice parameters.
> 1)  I choose some  % and I have done 'xoptimiz'
> 2)  then in 'edit optmiz.job' , I have uncommented : *) xdstart-up #c
>                        *) xdstart-dn #c
>                        *) runsp_lapw
> 3) then I run optimiz.job
>
> BUT  I have this error  !!!!!
>
> error in LAPW1
>  'INILPW' - can't open unit: 18
>  'INILPW' -        filename: essai.vsp
>  'INILPW' -          status: old          form: formatted
>  'LAPW1' - INILPW aborted unsuccessfully.
>
> Can someone tell me please if my steps that I have done are right??? 
> and where is the problem
>
> thanks in advance
>