[Wien] Charge for spin-polarized case

[John Appleton]

Dear all,
   
  I'm using WIEN2k_04 for plot the difference charge density for spin-polarized calculation. I searched the mailing and I found this mail from Prof. Blaha in response the an email from a fellow user (see below). What does Prof. Blaha mean when he says rename case.clmvalup (dn)  (again see mail below) ? If I do that, I get an error since case..clmvalup (dn) is needed in up uplapw5.def
   
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  P. Blaha wrote:
   
  When you do a standard charge density plot in WIEN for a spin polarized 
case, you will always get the spin-density (as default).

In order to calculate spin-up or dn densities seperately, you need to 
rename case.clmvaldn (or up) to something else (a file with this name 
must not be present).



> Recently I have studied magnetic systems using spin polarized calculation.
> When I calculate the charge density or spin density contours for spin up and
> spin down population. I find them the same. But when I calculate the
> electronic DOS for spin up and dow, they are different, which agree well with
> the physical interpretaion. I have not find in the litterature the
> interpreation to this result. 
> 
> Some one can hel me to understand the physical origin of this. I hoe that it
> is not a bug in the w2web presentation. 
> 
> best regards,
> 
> souraya
   
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