[Wien] optimization(error)

[Stefaan Cottenier]

As you run only dstart (and not x dstart -c -up/dn), you seem to have a 
nonspinpolarized run. But you use runsp.

Stefaan

Udai Pratap Verma wrote:
> Dear wien2k user's I am getting some error message during optimization
> of lattice parameter.
>
> My case spin polarised.
>
> I have edit optimize.job file as
>  
>  #    cp  $i.clmsum CrAs.clmsum
>  #    x dstart 
>       x dstart -c
>  #    run_lapw -ec 0.0001 -in1new 3 -in1orig -renorm
>       runsp_lapw -ec 0.0001
>  #    min -I -j "run_lapw -I -fc 1.0 -i 40 "
>  #    run_lapw -ec 0.0001
>
> Error in uplapw1.error
>
> 'INILPW' - can't open
> unit:18                                                
>  'INILPW' -   filename:
> CrAs.vspup                                        
>  'INILPW' -          status: old          form:
> formatted                      
>  'LAPW1' - INILPW aborted unsuccessfully.
>
> Thanking you
> U.P. Verma
>
>
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