[Octopus-devel] [Octopus-notify] svn commit: r8542 - in trunk/src: hamiltonian species system td utils by jrfsousa

[Micael Oliveira]

Hi David,


On 11/10/2011 08:07 PM, David Strubbe wrote:
> Regarding your change to ps.F90, I suspect that it is unacceptable
> for ps%g%rofi(i) to be zero for i > 1, in which case we should give a
> more informative error message than a divide by zero crash, but we
> should not continue because the pseudopotential will be wrong. Micael,
> is this true?

Yes it's true. rofi is the radial mesh, so only the first point might be 
equal to zero. If that's not the case, then there is something wrong.


Cheers,

Micael