[Pw_forum] bands_FS.x and spin polarized metals

[Eyvaz Isaev]

Dear Paul,

I have just found the last version of the file. So,
let me to do some tests before sending it to you, and
the community.

Bests,
Eyvaz.

--- "Paul M. Grant" <w2agz at pacbell.net> wrote:

> To All (especially Eyvaz Isaev!):
> 
> When I look at the source code for bands_FS, it
> seems unlikely that the
> program will handle a spin-polarized metallic band
> structure (e.g., Ni.I
> notice in Example 8, that its band structure is
> "unpolarized" before
> applying bands_FS.x).  And sure enough, if you're
> dumb and try anyway, it
> abends with a read error, probably because there's
> twice the number of
> k-points out there that it expects.
> 
> If anyone out there wants to extend (or has
> extended) Eyvaz' code, I'd be a
> willing alpha-tester.  
> 
> Paul M. Grant, PhD
> Principal, W2AGZ Technologies
> Visiting Scholar, Applied Physics, Stanford
> University
> EPRI Science Fellow (Retired)
> IBM Research Staff Member Emeritus
> w2agz at pacbell.net
> http://www.w2agz.com
>  
>  
> 
> 
> > _______________________________________________
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> 


-------------------------------------------------------------------
Prof. Eyvaz Isaev, 
Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, and 
Condensed Matter Theory Group, Uppsala University, Sweden 
Eyvaz.Isaev at fysik.uu.se, eyvaz_isaev at yahoo.com


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