Search found 6 matches
- Tue Sep 26, 2023 4:08 am
- Forum: Bugs
- Topic: Potential bug with curry soc
- Replies: 2
- Views: 7252
Potential bug with curry soc
I am trying to calculate the magnetization (or magnetic susceptibility) of a system composed by a Eu3+ ion coupled with a radical. The script did not seem to work and the calculation done by curry seems incosistent with the energy level structure and the EPR calculation performed with pepper. I have...
- Mon Mar 08, 2021 5:35 am
- Forum: Bugs
- Topic: Curry esfit with Scaling None gives an error
- Replies: 10
- Views: 12803
Re: Curry esfit with Scaling None gives an error
Hello,
I get the same error and even removing the toolboxes does not seem to work.
- Thu Feb 06, 2020 2:48 am
- Forum: Bugs
- Topic: Potental bug pepper gframe
- Replies: 2
- Views: 5581
Potental bug pepper gframe
Dear Stefan, I am trying to calculate the harmonic=0 EPR spectrum of a single crystal containing three identical UNCOUPLED COLLINEAR spins 1/2 but I don't get the expected gparBosc^2 dependence of the Intensity (where gparBosc is the component of g parallel to the oscillating field in perpendicular ...
- Thu Jul 19, 2018 6:18 am
- Forum: Bugs
- Topic: CF parameters bug
- Replies: 5
- Views: 3955
Re: CF parameters bug
Thanks for the new version!
I noticed that it was something related to powder average because the single crystal simulations worked fine.
I noticed that it was something related to powder average because the single crystal simulations worked fine.
- Sun Jul 01, 2018 5:30 am
- Forum: Bugs
- Topic: CF parameters bug
- Replies: 5
- Views: 3955
Re: CF parameters bug
Dear Stefan, I attach hereafter the code that I used, that is very simple. I already checked that the parameters used in easy spin are in fact expressed in the formalism that I use (I checked both the eigenvalues and eigenvectors comparing with a program that I wrote in FORTRAN 90 and the matrix rep...
- Sat Jun 30, 2018 2:22 am
- Forum: Bugs
- Topic: CF parameters bug
- Replies: 5
- Views: 3955
CF parameters bug
Dear Stefan, I am trying to simulate the ChiT (2-300K) and magnetization (0-5000mT) of a single lanthanide centre using curry. It works for many combinations of CF parameters but if I try the following: Sys.S=15/2; Sys.g=4/3; Sys.B2=0.2032*30000; Sys.B4=[7.1e-3 0 0 0 7.7e-3 0 0 0 0]*30000; Sys.B6=1....