def test(self):
from LinearlyInterpolatedDispersion_Example import example
disp = example()
from DWFromDOS_Example import example
dw_calctor = example()
atoms = mccomponentsbp.vector_AtomicScatterer(5)
aa = mcnibp.Vector3_double(1,0,0)
bb = mcnibp.Vector3_double(0,1,0)
cc = mcnibp.Vector3_double(0,0,1)
temperature = 300
Ei = 70
max_omega = 55
max_Q = 12
nMCsteps_to_calc_RARV = 10000
kernel = mccomponentsbp.Phonon_CoherentInelastic_PolyXtal_kernel(
disp, atoms, aa, bb, cc,
dw_calctor,
temperature,
max_omega,
)
return
def test(self):
from LinearlyInterpolatedDispersion_Example import example
disp = example()
from DWFromDOS_Example import example
dw_calctor = example()
atoms = mccomponentsbp.vector_AtomicScatterer(5)
aa = mcnibp.Vector3_double(1, 0, 0)
bb = mcnibp.Vector3_double(0, 1, 0)
cc = mcnibp.Vector3_double(0, 0, 1)
temperature = 300
Ei = 70
max_omega = 55
max_Q = 12
nMCsteps_to_calc_RARV = 10000
kernel = mccomponentsbp.Phonon_CoherentInelastic_PolyXtal_kernel(
disp,
atoms,
aa,
bb,
cc,
dw_calctor,
temperature,
max_omega,
)
return
def test(self):
from LinearlyInterpolatedDispersion_Example import example
dispersion = example()
Q = mcnibp.Vector3_double
b1 = Q( 2,0,0 )
b2 = Q( 0,3,0 )
b3 = Q( 0,0,4 )
rc = mccomponentsbp.ReciprocalCell( )
rc.b1 = b1; rc.b2 = b2; rc.b3 = b3
disp = mccomponentsbp.PeriodicDispersion_3D( dispersion, rc )
self.assertAlmostEqual( disp.energy(0, Q(2,3,4)), disp.energy(0, Q(0,0,0) ) )
return
def test(self):
from LinearlyInterpolatedDispersion_Example import example
dispersion = example()
M = mcnibp.Matrix3_double
Q = mcnibp.Vector3_double
m = M( 1,2,0,
2,0,3,
3,1,0)
disp = mccomponentsbp.ChangeCoordinateSystem_forDispersion_3D( dispersion, m )
self.assertAlmostEqual( disp.energy(0, Q(1,0,0)), disp.energy(0, Q(1,2,3) ) )
self.assertAlmostEqual( disp.energy(0, Q(0,1,0)), disp.energy(0, Q(2,0,1) ) )
self.assertAlmostEqual( disp.energy(0, Q(0,0,1)), disp.energy(0, Q(0,3,0) ) )
return
def test(self):
from LinearlyInterpolatedDispersion_Example import example
dispersion = example()
Q = mcnibp.Vector3_double
b1 = Q(2, 0, 0)
b2 = Q(0, 3, 0)
b3 = Q(0, 0, 4)
rc = mccomponentsbp.ReciprocalCell()
rc.b1 = b1
rc.b2 = b2
rc.b3 = b3
disp = mccomponentsbp.PeriodicDispersion_3D(dispersion, rc)
self.assertAlmostEqual(disp.energy(0, Q(2, 3, 4)),
disp.energy(0, Q(0, 0, 0)))
return
def test(self):
from LinearlyInterpolatedDispersion_Example import example
dispersion = example()
M = mcnibp.Matrix3_double
Q = mcnibp.Vector3_double
m = M(1, 2, 0, 2, 0, 3, 3, 1, 0)
disp = mccomponentsbp.ChangeCoordinateSystem_forDispersion_3D(
dispersion, m)
self.assertAlmostEqual(disp.energy(0, Q(1, 0, 0)),
disp.energy(0, Q(1, 2, 3)))
self.assertAlmostEqual(disp.energy(0, Q(0, 1, 0)),
disp.energy(0, Q(2, 0, 1)))
self.assertAlmostEqual(disp.energy(0, Q(0, 0, 1)),
disp.energy(0, Q(0, 3, 0)))
return
