[Wien] DOS spin polarized in WIEN2k-14.2

Peter Blaha pblaha at theochem.tuwien.ac.at
Mon Oct 20 09:39:36 CEST 2014


I cannot verify this, neither using w2web or on the command line using 
dosplot2.


If you have empty fields for xmin/max and ymin/max is scales automatically.

For dosplot2 there is a    dosplot.ini   file which is used by default 
if it is present (dosplot2 -h)


On 10/19/2014 05:00 PM, delamora wrote:
> Dear WIEN2k users;
>
>      I am using the 14.2 version and I am doing spin polarized
> calculation and when I want to plot
>
>
> 'simple' DOS (without 'both spins at once')
>
>      I get a plot with the energy axis limits normal, but the DOS axis
> is [0:1]
>
>
> both spins DOS (without neg spin-dn DOS)
>
>      it is 'the same' that is, the same limits, and both plots, up
> and dn, are shown
>
>
> both spins DOS with neg spin-dn DOS
>
>      I get both axes, energy and DOS with [-1:1], and the the DOS-dn is
> not shown.
>
>
> Now, if I edit the ':dos2' everything is OK.
>
>
>
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-- 

                                       P.Blaha
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Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
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