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bloch example updates

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This commit is contained in:
Jan Petykiewicz 2023-05-23 12:56:48 -07:00
parent d8ec46674d
commit b1a5cdcda9
1 changed files with 16 additions and 9 deletions
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25
examples/bloch.py
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@ -20,6 +20,7 @@ def pyfftw_save_wisdom(path):
pass
path.parent.mkdir(parents=True, exist_ok=True)
wisdom = pyfftw.export_wisdom()
with open(path, 'wb') as f:
pickle.dump(wisdom, f)
@ -42,11 +43,13 @@ logger.info('Drawing grid...')
dx = 40
x_period = 400
y_period = z_period = 2000
g = gridlock.Grid([numpy.arange(-x_period/2, x_period/2, dx),
numpy.arange(-1000, 1000, dx),
numpy.arange(-1000, 1000, dx)],
shifts=numpy.array([[0,0,0]]),
periodic=True)
g = gridlock.Grid([
numpy.arange(-x_period/2, x_period/2, dx),
numpy.arange(-1000, 1000, dx),
numpy.arange(-1000, 1000, dx)],
shifts=numpy.array([[0,0,0]]),
periodic=True,
)
gdata = g.allocate(1.445**2)
g.draw_cuboid(gdata, [0,0,0], [200e8, 220, 220], foreground=3.47**2)
@ -74,7 +77,8 @@ pyfftw_load_wisdom(WISDOM_FILEPATH)
# epsilon=epsilon,
# band=0)
#
#print("k={}, f={}, 1/f={}, k/f={}".format(k, f, 1/f, norm(reciprocal_lattice @ k) / f ))
#kf = norm(reciprocal_lattice @ k) / f)
#print(f'{k=}, {f=}, 1/f={1/f}, k/f={kf}')
logger.info('Finding f at [0.25, 0, 0]')
for k0x in [.25]:
@ -82,7 +86,7 @@ for k0x in [.25]:
kmag = norm(reciprocal_lattice @ k0)
tolerance = (1000/1550) * 1e-4/1.5 # df = f * dn_eff / n
logger.info('tolerance {}'.format(tolerance))
logger.info(f'tolerance {tolerance}')
n, v = bloch.eigsolve(4, k0, G_matrix=reciprocal_lattice, epsilon=epsilon, tolerance=tolerance**2)
v2e = bloch.hmn_2_exyz(k0, G_matrix=reciprocal_lattice, epsilon=epsilon)
@ -96,8 +100,11 @@ for k0x in [.25]:
g2data[i+3] += numpy.imag(e[i])
f = numpy.sqrt(numpy.real(numpy.abs(n))) # TODO
print('k0x = {:3g}\n eigval = {}\n f = {}\n'.format(k0x, n, f))
print(f'{k0x=:3g}')
print(f'eigval={n}')
print(f'{f=}')
n_eff = norm(reciprocal_lattice @ k0) / f
print('kmag/f = n_eff = {} \n wl = {}\n'.format(n_eff, 1/f ))
print(f'kmag/f = n_eff = {n_eff}')
print(f'wl={1/f}\n')
pyfftw_save_wisdom(WISDOM_FILEPATH)