[Wien] DOS spin polarized in WIEN2k-14.2

delamora delamora at unam.mx
Sun Oct 19 17:06:54 CEST 2014


I forgot to say that I used the intel 11.1 compiler

________________________________
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: domingo, 19 de octubre de 2014 10:00 a.m.
Para: A Mailing list for WIEN2k users
Asunto: [Wien] DOS spin polarized in WIEN2k-14.2


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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