Thanks, thanasis. You absolutely right. The problem of the definition of the levels is occur at crossing/anticrossing points. It seems, there are no any convenient way to solve the problem.
Search found 186 matches
- Mon Aug 21, 2023 3:45 am
- Forum: General forum
- Topic: Calculating Transition Energies
- Replies: 6
- Views: 8217
- Thu Aug 17, 2023 2:13 am
- Forum: General forum
- Topic: Calculating Transition Energies
- Replies: 6
- Views: 8217
Re: Calculating Transition Energies
The output of resfreq_matrix() is always sorted according to increasing of the energy. You may try to calculate the energy of single selected transition using Opt.Transitions parameter. Also, resfreq_matrix() may show a pair of energy levels for each transition (third output of the function) which p...
- Thu Aug 17, 2023 1:44 am
- Forum: General forum
- Topic: Trouble Simulating Broadened Features
- Replies: 3
- Views: 1115
Re: Trouble Simulating Broadened Features
It looks as lite inequivalence at least of two nitrogens in the quintet 1:2:3:2:1.
- Mon May 22, 2023 10:10 pm
- Forum: General forum
- Topic: Fitting multiple variables for CW-EPR using new unstable version
- Replies: 1
- Views: 1296
Re: Fitting multiple variables for CW-EPR using new unstable version
You have use esfit(spc,@chili,{{Nx1,Nx2}, Exp},{{Vary1,Vary2}});
- Mon May 15, 2023 3:59 am
- Forum: Bugs
- Topic: Automatic definition of Exp.nPoints for esfit() function
- Replies: 11
- Views: 8984
Automatic definition of Exp.nPoints for esfit() function
I've found that automatic definition of the number of the spectral points isn't works properly in latest EasySpin 6.0.0dev51 version. The Exp.nPoints parameter should be defined else the error of matrices index mismatch occur. Is it a bug either custom simulation function should worry about it? UPD....
- Thu May 11, 2023 11:04 pm
- Forum: Bugs
- Topic: EasySpin expired
- Replies: 7
- Views: 12397
Re: EasySpin expired
Thanks. I'll try to adopt my custom scripts for the EasySpin 6.x.x.
I hope EasySpin 5.2.x will be finally released without time limit, howether.
- Wed May 10, 2023 11:18 pm
- Forum: Bugs
- Topic: EasySpin expired
- Replies: 7
- Views: 12397
Re: EasySpin expired
Thanks. I hope the version 6.0.x is relatively stable.
- Fri Mar 17, 2023 1:05 am
- Forum: Bugs
- Topic: EasySpin expired
- Replies: 7
- Views: 12397
EasySpin expired
I use latest stable release of EasySpin version 5.2.35. It throws an error
Your EasySpin version has expired (1;738962,738917).
Please visit easyspin.org and update to the latest version.
Will 5.x.x vresrsion be supported in future?
- Thu Mar 02, 2023 4:51 am
- Forum: General forum
- Topic: How do I get the relative concentrations of radicals
- Replies: 3
- Views: 1902
Re: How do I get the relative concentrations of radicals
If You are interested in relative concentration of each radical You may use Sys.weight parameter.
- Mon Dec 12, 2022 2:38 am
- Forum: Bugs
- Topic: eprload function with Magnettech
- Replies: 8
- Views: 18699
Re: eprload function with Magnettech
Please load the examples of the xml files which You try to import.