The ABINIT Users Mailing List ( CLOSED )

[Latévi Max LAWSON DAKU <Max.Lawson@unige.ch>]

[...]
> SRC/main/aim.F90:
>
> «
> do ii=1,natm
>  iunt=unt+ii
>  read(*,'(a)',iostat=ios) fcfile
>  if (ios /=0) exit
>  open(iunt,file=fcfile,status='old',form='formatted',iostat=ivst)
>  if (ivst/=0) stop 'err opening fc-file'
> end do
> »
We have variable 'natom'  set to 100, and iteration over 'ii' lasts
till the end of the file 'aim.files' is reached. In my case, there are
blank lines at the end of this file !!...


All the best,
Max

> This suggests that the core density files cannot be found.
> However my "aim.files" follows the conventions given in the
> aim_help file:
>
> «
> /WORKDIR/aim.in
> /WORKDIR/aim_DEN
> /WORKDIR/aim
> /WORKDIR/57-La.GGA.fc
> /WORKDIR/12-Mg.GGA.fc
> /WORKDIR/28-Ni.GGA.fc
> »
>
> and the fc-files do exist in the specified directory !!...
>
> They have been generated using the fhiPP codes. I've checked
> them against those available on the Abinit pages and they look
> OK. This sounds like a silly file-location issue, but  I really don't
> understand what's going on.
>
> Thanks in advance for your help.
>
> Best regards,
> Max

--
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Latevi Max LAWSON DAKU
Departement de chimie physique 
Universite de Geneve - Sciences II
30, quai Ernest-Ansermet  
CH-1211 Geneve 4 
Switzerland 

Tel: (41) 22/379 6548 ++ Fax: (41) 22/379 6103
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