def plot_M_vs_T(ham, supercell_matrix=np.eye(3), Tlist=np.arange(0.0, 110,
20)):
Mlist = []
for temperature in Tlist:
sc_ham = ham.make_supercell(supercell_matrix)
mover = SpinMover(hamiltonian=sc_ham)
mover.set(
time_step=2e-4,
#damping_factor=0.1,
temperature=temperature,
total_time=1,
save_all_spin=True)
mover.run(write_step=10)
hist = mover.get_hist()
hspin = np.array(hist['spin'])
time = np.array(hist['time'])
tspin = np.array(hist['total_spin'])
Ms = np.linalg.det(supercell_matrix)
avg_total_m = np.average((np.linalg.norm(tspin, axis=1) / Ms)[300:])
print("T: %s M: %s" % (temperature, avg_total_m))
Mlist.append(avg_total_m)
plt.plot(Tlist, Mlist)
plt.ylim(-0.01, 1.01)
plt.xlabel('Temperature (K)')
plt.ylabel('Average magnetization (Ms)')
plt.show()
def plot_M_vs_time(ham, supercell_matrix=np.eye(3), temperature=0):
sc_ham = ham.make_supercell(supercell_matrix)
mover = SpinMover(hamiltonian=sc_ham)
mover.set(
time_step=1e-5,
temperature=temperature,
total_time=1,
save_all_spin=True)
mover.run(write_step=10)
hist = mover.get_hist()
hspin = np.array(hist['spin'])
time = np.array(hist['time'])
tspin = np.array(hist['total_spin'])
Ms = np.linalg.det(supercell_matrix)
plt.figure()
plt.plot(
time, np.linalg.norm(tspin, axis=1) / Ms, label='total', color='black')
plt.plot(time, tspin[:, 0] / Ms, label='x')
plt.plot(time, tspin[:, 1] / Ms, label='y')
plt.plot(time, tspin[:, 2] / Ms, label='z')
plt.xlabel('time (s)')
plt.ylabel('magnetic moment ($\mu_B$)')
plt.legend()
#plt.show()
#avg_total_m = np.average((np.linalg.norm(tspin, axis=1)/Ms)[:])
plt.show()