[Wien] optic, some wrong parameters

[Peter Blaha]

Thank's for the report.
It will be fixed in the nexed version.

Pablo de la Mora schrieb:
> Dear WIEN users
>     I am trying to calculate the plasma frequencies, so I calculate
> x lapw2 -fermi
> x optic
> x joint
> 
> I have two comments in relation to the imput (<case>.inop) to the optic 
> program;
> I find that the manual says for the imput (<case>.inop)
> 
> ---------------- top of file: case.inop --------------------
> 99999 1          : NKMAX, NKFIRST
> -5.0 2.0 18      : EMIN, EMAX, ***** NBvalMAX *****
> 2                : number of choices (columns in *symmat)
> 1                : Re xx
> 3                : Re zz
> OFF              : ON/OFF   writes MME to unit 4
> ------------------- bottom of file -------------------------
> The Usersguide says in reference to the second line;
> nbvalmax         *optional* input. Setting this to the number of 
> occupied bands
>                         (see case.output2) will reduce cpu-time of optics
>                         (for large cases, MM only between occupied and 
> empty bands)
> 
> 
> I find that this parameter is not optional, that is, if it is not put a 
> number the program stops! So, if one does not want to put the number 
> given in <case>.output2, what should one put? 99999?
> 
> 
> 
> Lines after 'OFF'
> I find that I need to put extra lines after this line, otherwise the 
> program crashes!
> 
>     Yours
> 
>             Pablo de la Mora
> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 

                                       P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
--------------------------------------------------------------------------