[Octopus-devel] [Octopus-notify] svn commit: r8542 - in trunk/src: hamiltonian species system td utils by jrfsousa
micael at teor.fis.uc.pt
Thu Nov 10 20:12:33 WET 2011
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.
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