[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.
>
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>
--
P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at WIEN2k: http://www.wien2k.at
WWW: http://www.imc.tuwien.ac.at/staff/tc_group_e.php
--------------------------------------------------------------------------
More information about the Wien
mailing list