[Wien] How can I use modified tetrahydron-method in case.in2 file?

[mehrdad dadsetani]

Dear Yasuharu, 

I think it is useful for you 

TETRA   0.000  means that you are using modified
tetrahedron method
TETRA   101.0  means that you are using Standard
tetrahedron method (recomended for optical properties)

Regards
Mehrdad Dadsetani
Department of physics
Isfahan university,IRan



--- yasuharu_shiraishi at fujifilm.co.jp wrote:

> Dear Wien-users,
> 
> 
> I do not know how to set modified tetrahydron-method
> in case.in2 file.
> 
> In userguide, "Use .lt. 100 in eval of case.in2
> file", but I do not
> understand this meaning.
> Could you tell me how to correct case.in2 file?
> 
> 
> Best regards.
> Yasuharu Shiraishi

       
> 
> I set my input file of case.in2 file as follows.
> 
> TOT            (TOT, FOR, QTL, EFG, FERMI)
>          -9.0      48.0  0.50  0.05         EMIN, 
> NE,  ESEPERMIN,  ESEPERO
> TETRA   0.000        (GAUSS, ROOT, TEMP, TETRA, ALL 
>    eval)
>    0 0    2 0    4 0    4 4    6 0    6 4
>    0 0    2 0    4 0    4 4    6 0    6 4
> 14.      GMAX
> FILE      FILE/NOFILE  write recprlist
> 
> 
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