[Wien] DOS spin polarized in WIEN2k-14.2

[delamora]

Dear Professor Blaha,
        I do not know what I did, I moved to WIEN2k 11, then to 14.2 again and now it seems to be working fine!
        Thank your time and sorry for the trouble!!!

                    Pablo de la Mora

________________________________________
De: wien-bounces at zeus.theochem.tuwien.ac.at <wien-bounces at zeus.theochem.tuwien.ac.at> en nombre de delamora <delamora at unam.mx>
Enviado: miércoles, 18 de marzo de 2015 05:48 p. m.
Para: A Mailing list for WIEN2k users
Asunto: Re: [Wien] DOS spin polarized in WIEN2k-14.2

Dear Professor Blaha,
        I did not answer your mail since you put an earlier date, 20 oct 2014, and I did not see it.

        I do not know what is happening to my WIEN2k, here is the Fe3O4
DOS-Fe3O4-up   "Do you want to plot both spins at once: YES   with neg spin-dn DOS: YES"
DOS-Fe3O4-up-dn   "Do you want to plot both spins at once: YES   with neg spin-dn DOS: NO"

DOS-Fe3O4  I edit ":dos2"
________________________________________
De: wien-bounces at zeus.theochem.tuwien.ac.at <wien-bounces at zeus.theochem.tuwien.ac.at> en nombre de Peter Blaha <pblaha at theochem.tuwien.ac.at>
Enviado: lunes, 20 de octubre de 2014 02:39 a. m.
Para: A Mailing list for WIEN2k users
Asunto: Re: [Wien] DOS spin polarized in WIEN2k-14.2

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
--------------------------------------------------------------------------
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
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