The ABINIT Users Mailing List ( CLOSED )

[verstraete@pcpm.ucl.ac.be]

Hello Raphael,

I have no idea what is happening. Are you sure you run terminates 
completely? A number of bugs have been found, and could make the DOS 
calculation crash if you don't have inversion symmetry or if your 
eigenvalues become spaced too closely (in some cases). The next version of 
abinit will have all these fixed. If your run does get to the end of 
everything, send me your input output and log (what's the system?).

Matthieu

On Thu, 3 Apr 2003 raphael.petion@isen.fr wrote:

> Dear all,
> 
>  I recently encountered a strange fact while using the tetrahedron
>  method (option prtdos 2). Everything was correct, computation had well
>  converged and I had no errors and even 0 warnings. Good. I look at my
>  work directory, read the output file, and when I want to get the
>  results of the computation, I see that... there is no *_DOS file !
>  With prtdos 1 (smearing), everything goes well. Nevertheless, I think
>  that tetrahedron method would be more interesting for me.
>  I'm using a sunblade 100 sparc machine, running under Solaris 8. This
>  is not due to a lack of disk space or quota. Does someone knows the
>  solution ? I would greatly appreciate.
> 
> Thanks,
> Raphael Petion.
> 

-- 
===================================================================
Matthieu Verstraete               mailto:verstraete@pcpm.ucl.ac.be 
PCPM, Boltzmann, pl. Croix du Sud, 1            tel: 010/ 47 86 81
B-1348 Louvain-la-Neuve  Belgium                fax: 010/ 47 34 52