Look here for the typo
Sys1;J = 0;
Search found 209 matches
- Mon Mar 17, 2025 6:20 am
- Forum: General forum
- Topic: concern for a possible issue with coupled spins
- Replies: 2
- Views: 12551
Re: concern for a possible issue with coupled spins
- Fri Mar 14, 2025 6:40 am
- Forum: General forum
- Topic: defining different g tensors for coupled spins
- Replies: 3
- Views: 11459
Re: defining different g tensors for coupled spins
Sys.gFrame = [0 10 0; 23 -45 67]*pi/180; % two electron spins
- Tue Mar 11, 2025 11:27 pm
- Forum: General forum
- Topic: defining different g tensors for coupled spins
- Replies: 3
- Views: 11459
Re: defining different g tensors for coupled spins
The code seems to be right. But Sys.gFrame seems to be a better way. Also, there are no need to define full matrix for g-tensor, the principal values should be enough.
- Mon Mar 10, 2025 2:58 am
- Forum: General forum
- Topic: Simulation of V Complex
- Replies: 2
- Views: 10175
Re: Simulation of V Complex
It is clear superposition of at least two signals. You try to simulate only one of them. Another signal should have sufficiently larger linewidth and relative weight. If it occur due to superexchange V-V coupling, it is almost unreliable to extract its parameters correctly, except special cases J<<A...
- Thu Mar 06, 2025 11:14 pm
- Forum: General forum
- Topic: Two-component Fitting
- Replies: 2
- Views: 10356
Re: Two-component Fitting
In GUI mode You have to save and export the parameters, Save parameters set --> export, see GUI window. The structure fit1 will be exported in the MATLAB workspace. The field fit1.fit contains required data.
- Sun Feb 23, 2025 11:46 pm
- Forum: Bugs
- Topic: Potential bug in esfit() in GUI mode
- Replies: 1
- Views: 21461
Potential bug in esfit() in GUI mode
It was found in the topic: https://easyspin.org/forum/viewtopic.php?t=1132 I've tested the potential bug an found using example esfit function with some modifications: FitOpt.Method = 'genetic int'; FitOpt.EliteCount =10; FitOpt.PopulationSize = 50; FitOpt.maxGenerations = 50000; No-GUI mode gives e...
- Fri Feb 21, 2025 5:08 am
- Forum: General forum
- Topic: Temperature Dependent Simulations using garlic
- Replies: 7
- Views: 17123
Re: Temperature Dependent Simulations using garlic
Use 1H nuclei only, drop down 13C ones and define the spin system correctly.
Sys.S = [1/2 1/2];
Sys.Nucs='1H,1H';
Sys.A=mt2mhz([aH 0.0;0 aH]/10);
- Thu Feb 20, 2025 11:15 pm
- Forum: General forum
- Topic: Temperature Dependent Simulations using garlic
- Replies: 7
- Views: 17123
Re: Temperature Dependent Simulations using garlic
What about pepper?
- Mon Feb 17, 2025 10:47 pm
- Forum: General forum
- Topic: Genetic algorithm
- Replies: 3
- Views: 10769
Re: Genetic algorithm
https://easyspin.org/easyspin/documentation/esfit.html Parameters for the genetic algorithm: FitOpt.PopulationSize A number giving the size of the population, that is the number of parameter sets and simulations in one generation. The default value is 20, but for fittings with many parameters, this ...
- Mon Feb 17, 2025 10:39 pm
- Forum: General forum
- Topic: Reproducing spectral simulations
- Replies: 2
- Views: 9652
Re: Reproducing spectral simulations
You have to use pepper function with muliple component spectrum https://easyspin.org/easyspin/documenta ... icomponent
See also definition of zerofield splitting from D and E https://easyspin.org/easyspin/documenta ... tem.html#D