Pepper: Default value of Opt.nKnots

General forum for EasySpin: questions, how to's, etc.
Post Reply
Charles
Newbie
Posts: 5
Joined: Wed Mar 23, 2016 3:01 am

Pepper: Default value of Opt.nKnots

Post 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
lorenz
User
Posts: 23
Joined: Tue Oct 06, 2015 1:41 am

Re: Pepper: Default value of Opt.nKnots

Post 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.
Charles
Newbie
Posts: 5
Joined: Wed Mar 23, 2016 3:01 am

Re: Pepper: Default value of Opt.nKnots

Post by Charles »

Thank you, I was looking only in this page: http://easyspin.org/easyspin/documentation/pepper.html
Stefan Stoll
EasySpin Creator
Posts: 1108
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: Pepper: Default value of Opt.nKnots

Post 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.
Post Reply