The ABINIT Users Mailing List ( CLOSED )

[Fabien Bruneval <fabien.bruneval@polytechnique.fr>]

Dear Mikey,
Indeed I think there is a bug for nsppol =2 inside the subroutine 
Src_5common/partial_dos_fractions.f.
Line 282 statement :
  ioffkg = 0
should be moved inside the loop on isppol (e.g. line 285).
Is this confirmed by anyone else ?

Fabien Bruneval


mikey_lee wrote:

> The same problem appeared on linux.
> Is is a BUG?
> The input files are enclosed.
>
> ----- Original Message -----
> From:mikey_lee <mikey_lee@263.sina.com>
> To:forum@abinit.org
> Subject:[abinit-forum] atom projected DOS at spin polarized
> Date:Thu, 11 Dec 2003 11:24:22 +0800
> > Dear all:
> >
> > I try to compute the  the angular-momentum projected DOS for prtdos=3 at 
> > spin polarized for nsppol=2 by abinis 4.2.3 on win2000. But abinis abort 
> > abnormally. Why?
> >
> > ===================================================================
> >
> >
>
> ===================================================================
>
>   ------------------------------------------------------------------------
>             Name: Ni.in
>    Ni.in    Type: application/x-msdownload
>         Encoding: base64