.
Thanks for all your help!
Johannes
2016-08-09 11:15 GMT+02:00 Johannes Dietschreit <dietschr...@gmail.com>:
> Hello Edward,
>
> I understand that the strict convergence criteria are neccessary. When I
> set the max_iter parameter to just 30, I get very similar results as
somehow whether the program is converging every so slowly or whether I
should abort the calculation?
Thanks you for the help!
Sincerely,
Johannes Dietschreit
___
Johannes C. B. Dietschreit
BSc Science
___
relax (http://www.nmr
>
> Sorry for the late response. I've been quite busy in the last two
> months. Please see below:
>
>
> On 8 August 2016 at 13:25, Johannes Dietschreit <dietschr...@gmail.com>
> wrote:
> > Hi,
> >
> > thank you so much for your quick and long response. I did n
he problem will never return.
>
> If this a user error, the tutorial should help to prevent this, and would be
> the first step before
> adding/modifying the manual.
>
> Note:
> I can only help with setting up the loading of the data.
> The interpretation of the results is not m
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