Search found 4 matches

by ep-silon
Wed Mar 29, 2017 3:04 am
Forum: General forum
Topic: Employing inversion symmetry
Replies: 3
Views: 1861

Re: Employing inversion symmetry

Thank you for your quick reply. I tried to use the function as described in the manual, but unfortunately I receive some errors. Could you please have a look at my input and tell me what I am doing wrong? Many thanks in advance for your help! ----------------------------------------------- clear, cl...
by ep-silon
Tue Mar 28, 2017 7:02 am
Forum: General forum
Topic: Employing inversion symmetry
Replies: 3
Views: 1861

Employing inversion symmetry

Hello, I am trying to simulate an EPR spectrum by using "esfit". I have two spins which are identical by symmetry. However, when I try to fit the spectrum, EasySpin varies independently the perpendicular components of the g-tensor of each spin. Is it possible to impose somehow inversion sy...
by ep-silon
Thu Mar 23, 2017 6:26 am
Forum: General forum
Topic: Calculate energy spectrum
Replies: 2
Views: 1608

Re: Calculate energy spectrum

Thanks a lot! It worked.
by ep-silon
Wed Mar 22, 2017 2:16 am
Forum: General forum
Topic: Calculate energy spectrum
Replies: 2
Views: 1608

Calculate energy spectrum

Hello, I want to calculate the energy spectrum in zero applied field. I know about "levels" function, but it allows only to calculate the energy levels evolution in an applied field. Is it there anyway how can I do it in absence of any field? In other words I just want EasySpin to give me ...