EasySpin forum

Hello, First, thank you very much for putting your EDNMR scripts together for public use, as I am very interested to run some EDNMR simulations. However, what should one do if simulations for systems with spin greater than 1/2 are required? For example, how were the Class 1 and Class 2 Mn EDNMR simu...

Hello, First, thank you very much for putting your EDNMR scripts together for public use, as I am very interested to run some EDNMR simulations. However, what should one do if simulations for systems with spin greater than 1/2 are required? For example, how were the Class 1 and Class 2 Mn EDNMR simu...

Hi, When I do HYSCORE simulations, Sys.T1T2 doesn't seem to affect the spectrum at all. For example: Sys.Nucs = '14N'; Sys.A_ = [0.8 0.5]; Sys.Q = [-1 -1 2]*0.1; Sys.T1T2 = [10 1]; Exp.Sequence = 'HYSCORE'; Exp.Field = 330; Exp.tau = 0.080; Exp.dt = 0.120; Exp.nPoints = 256; saffron(Sys,Exp); If I c...

Just a general question about Euler angle definitions: You define the Euler angles in Sys.gpa as "the passive rotation which transforms the g matrix of the associated electron spin from its eigenframe to the molecular frame". Presumably this logic applies to all other Euler angles as well ...

I too would like to thank you for your help. I still haven't gotten around to actually implementing it, but it makes sense.

Hi,

I'm trying to simulate a CW biradical spectrum, and I'd like to be able to have a constraint so that the g-values of the two radicals are kept the same (although I still want to have EasySpin optimize the g-values). How would you do this?

Thanks,
Alex
(MatlabR2014b, EasySpin4.5.5, Windows7Pro)

Oh wait, now it suddenly says my version of EasySpin is not expired, seemingly (will report back if the expiration message comes up again). Admittedly, I'm not sure what did it, but it seemed to have fixed itself right after replacing the eschecker file.

Here's what I get:

>> format long
datenum(clock)
datestr(clock)
a=dir(tempdir);
a(1)

ans =

7.359787607454514e+05


ans =

14-Jan-2015 18:15:28


ans =

name: '.'
date: '14-1-2015 18:15:11'
bytes: 0
isdir: 1
datenum: 7.359787605439815e+05

As far as I can tell, there are no files in tempdir that have a future date (I deleted everything in there since Jan 7 which is when the problem started for me, and that didn't help). Here's an example of what happens: >> easyspin ================================================================== Re...

Hi, for some reason when I tried using EasySpin yesterday (Jan. 7, 2015 in Tokyo, Japan) it told me that the version I was using (4.5.5) was expired. As such I've had to adjust the time on my computer back a few days as a work around which is annoying. This doesn't really make sense to me, because w...