[Wien] ‘mixer’ crashes when forces too large

[Elias Assmann]

Dear Laurence and Peter,

Thank you for the suggestion of changing to TOT.  It appears to work (I 
say "appears" because after 2 iterations I hit the dreaded "QTL-B 
error", but still: progress!).

	Elias

On 05/25/2013 08:37 AM, Peter Blaha wrote:
> I've never seen this before.
>
> Anyway, I suggest that you resubmit with  runsp -I ...
>
> This will switch in case.in2 from FOR to TOT and thus does not calculate
> :FSU   (until the partial forces are converged and you get the converged
> "total forces").