[Wien] spin polarization of valence states

[Oleg Artamonov]

Dear Peter Blaha,

I would like  to decompose the calculated density of valence states 
of W into j=3/2 and 1/2.
I used the template from SRC_templates/case.cf_* and have got 
the file case.qtl.
How is it possible to apply this file to "spagetty" and plot the
results?
Thanks in advance,
        Oleg Artamonov.
  

----- Original Message ----- 
From: "Peter Blaha" <pblaha at theochem.tuwien.ac.at>
To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
Sent: Tuesday, December 11, 2007 10:44 PM
Subject: Re: [Wien] spin polarization of valence states


> The QTL-package can give you a decomposition into j=3/2 and 1/2
> 
> You need an input file case.cf, and the corresponding splittings are
> as tamplates available in SRC_templates/case.cf_* .
> 
> For details consult the corresponding UG, but after running qtl-program
> you get a case.qtl file with the desired splitting.
>