How would I define gFrame for each spin though?
Search found 5 matches
- Wed Mar 12, 2025 9:09 am
- Forum: General forum
- Topic: defining different g tensors for coupled spins
- Replies: 3
- Views: 14000
- Tue Mar 11, 2025 10:36 am
- Forum: General forum
- Topic: defining different g tensors for coupled spins
- Replies: 3
- Views: 14000
defining different g tensors for coupled spins
Hi all. Was wondering if EasySpin can actually handle having two different g tensors. For example, Sys.S = [1/2 1/2]; g = [2.0033416 0.0002885 -0.0009103; 0.0000620 2.0038267 0.0003742; -0.0008922 0.0002308 2.0030146]; r1 = eul2rotm(deg2rad([-173.0, 7.2, 148.2]), 'XYZ'); g1 = r1 g r1'; r2 = eul2rotm...
- Fri Feb 21, 2025 3:57 am
- Forum: General forum
- Topic: Temperature Dependent Simulations using garlic
- Replies: 7
- Views: 21259
Re: Temperature Dependent Simulations using garlic
I've also used pepper but I'm not seeing any difference in my signal if I set the Sys.S to [0.5 0.5] vs Sys.S to 1.
- Thu Feb 20, 2025 10:48 am
- Forum: General forum
- Topic: Temperature Dependent Simulations using garlic
- Replies: 7
- Views: 21259
Re: Temperature Dependent Simulations using garlic
Hi all. Thanks for the reply. I'm currently experimenting with chili at the moment but I'm running into the error: This is an isotropic spin system. chili cannot calculate a slow-motion spectrum. I've checked other forum post and I've tried to make it look similar but the same error still comes by. ...
- Wed Feb 12, 2025 12:35 pm
- Forum: General forum
- Topic: Temperature Dependent Simulations using garlic
- Replies: 7
- Views: 21259
Temperature Dependent Simulations using garlic
Hi all. I'm a bit new to EasySpin but I've been using it for my undergraduate thesis where I'm simulating EPR spectra for diradical systems. I am a bit confused on how Temperature-dependent simulations work (I'm using garlic). I ideally want to see secondary peaks when I lower the temperature in Exp...