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Pepper: Default value of Opt.nKnots

Posted: Thu May 12, 2016 12:41 am
by Charles
Dear easyspin community,

does anybody know what is the default value for Opt.nKnots in the pepper-function? In the documentary, I dont find this information.

Yours
Charles

Re: Pepper: Default value of Opt.nKnots

Posted: Thu May 12, 2016 9:39 am
by lorenz
Simulating solid-state cw EPR spectra.....

The higher nKnots, the finer the orientational grid. The default value of 19 (5-degree increments) is appropriate for most systems. A value larger than 181 (0.5-degree increments) is rarely needed.

Re: Pepper: Default value of Opt.nKnots

Posted: Fri May 13, 2016 1:09 am
by Charles
Thank you, I was looking only in this page: http://easyspin.org/easyspin/documentation/pepper.html

Re: Pepper: Default value of Opt.nKnots

Posted: Tue May 17, 2016 8:22 pm
by Stefan Stoll
You can set Opt.Verbosity=1 and run a simulation. EasySpin will then print a lot of information about the simulation in the command window, including the orientational grid size.