[Pw_forum] error in stress calculation

[Stefano de Gironcoli]

This problem should not be appear anymore in pw.2.0

It was due to the fact that the Bessel function of
order -1 diverges in zero. One of the stress routines
used this function for some intermediate step in the 
calculation and complained if the radial grid of
the pseudopotentential contained the origin.

Now it is done differently.

Stefano de Gironcoli

On Sat, 13 Mar 2004, Raghani Pushpa wrote:

> 
> Dear users,
> I am getting the following error while calculating stress in Au/Ag system 
> in a slab calculation.
> 
>      entering subroutine stress ...
>  
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      from sph_bes : error #         2
>      j_{-1}(0) ?!?
>  
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      stopping ...
> 2
> 
> whereas the code works well for ag/pt (slab) system.
> 
> what could be the problem?
> 
> pushpa
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