epraya.JPowder#

JPowder(Hamer, Expe, Nucl='None', graph=True)#

Wrap function for the simulation of the EPR spectrum for powder samples. It also use the SOPHE modified method to create the triangular grid and its weights.

Parameters:

  • Hamer (Class) – Container for the hamiltonian parameters of the system.

  • Expe (Class) – Container for the experimental conditions.

  • Nucl (str) – Isotope of the sample. Can be the quantum number and the element or only the element (‘55Mn’ or ‘Mn’)

  • graph (Bool) – Plots the resulting spectrum.

Returns:

  • Blist (jax.np.array) – Array of the magnetic field.

  • epc (jax.np.array) – Array of the counts of the spectrum.

Example

import matplotlib.pyplot as plt
import epraya as epr
import numpy as np
Ham,Exp,_=epr.Jstart()
Ham.S=3/2
Ham.I=1
Ham.g=np.array([2.003, 2, 2])
Ham.A=np.array([200, 200, 200])  #Hyperfine constant
Ham.D=np.array([800,200])      #Zero field D and E
Ham.Hpp=[0,10]
Exp.Freq=9.4
Exp.Points=4096
Exp.Temperature=300
Exp.Frange=[0,800]
B,spc=epr.JPowder(Ham,Exp)
Plot of the spectrum of the Jpowder function