[Wien] Problem with EnE convergence in S-O Calculation for the Chalcopyrite compound

[Stefaan Cottenier]

> I think that understood your remark,  the line in red must be false, I 
> am new and I do not have nothing but follow the UG, can be that I 
> should replace 0000 by 1 2 3 0, no 
>
Try it with this case.inso:

WFFIL

 4  1  0                      llmax,ipr,kpot

 -10.0000   1.50000           emin,emax (output energy window)

   0.  0.  1.                 direction of magnetization (lattice vectors)

 0                            number of atoms for which RLO is added

 0 0 0 0 0                    number of atoms for which SO is switch off;

 

Here are no RLO's, and spin-orbit is NOT switched of for any atom. (try 
to understand from the UG what the differences between this file and 
your file mean!)

Stefaan

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