[Wien] optic, some wrong parameters

Pablo de la Mora pm at hp.fciencias.unam.mx
Thu Aug 5 14:42:18 CEST 2010


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
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