[Wien] Error in LAPW2

[Peter Blaha]

w2web sets during the initialization some flags, so that it knows what your
calculation is supposed to do.

For instance the flag "spin-polarization" is set when you answer "yes" to
the corresponding question at the end of init_lapw.

I suppose, you did "manually" a spin-polarized calculation, but you never "told" w2web,
that it  is spin-polarized. Thus w2web wanted to produce a non-spinpolarized DOS.

You can change in   "Session management / change info" the corresponding flag and it should work.

Am 21.01.2012 18:16, schrieb sufyan:
> Dears developers and users
>
>    i run WIEN2K (11.1) for my case and it has converged successfully the sfc using the commands "Manually" ,but when i want calculate the DOS either using w2web or the commands
> i have this
>    Error in LAPW2
> 'LAPW2' - can't open unit: 18
> 'LAPW2' -        filename: aflamno3-2.vsp
> 'LAPW2' -          status: old          form: forma
>
> i need any suggestions for treat this problem
>   thanks
> sufyan naji
>
>
>
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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