def custom_thetaz(plane_normal, theta, phi):
#thetaz is the angle between the incident x-ray and the z-axis,
#theta is the diffraction angle
thetazrange = arange(0, pi, pi / 100000)
r = plane_normal[0] * sin(thetazrange) * cos(phi) + plane_normal[1] * sin(
thetazrange) * sin(phi) + plane_normal[2] * cos(thetazrange)
f = abs(
sin(theta) - r /
((sin(thetazrange) * cos(phi))**2 +
(sin(thetazrange) * sin(phi))**2 + cos(thetazrange)**2)**0.5 /
vlen(plane_normal))
fmin = min(f)
I = list(f).index(fmin)
thetaz = thetazrange[I]
return thetaz
def custom_thetaz(plane_normal,theta,phi):
#thetaz is the angle between the incident x-ray and the z-axis,
#theta is the diffraction angle
thetazrange = arange(0,pi,pi/100000);
r = plane_normal[0]*sin(thetazrange)*cos(phi)+plane_normal[1]*sin(thetazrange)*sin(phi)+plane_normal[2]*cos(thetazrange);
f = abs(sin(theta)-r/((sin(thetazrange)*cos(phi))**2+(sin(thetazrange)*sin(phi))**2+cos(thetazrange)**2)**0.5/vlen(plane_normal));
fmin = min(f);
I = list(f).index(fmin);
thetaz = thetazrange[I];
return thetaz;
c_axis = array([0., 0., 1.]) * c
axis = array([a_axis, b_axis, c_axis])
la = Lattice(basis=axis)
at = Atom()
at.set('position', zeros(3))
la.plot3d_basis(labelwidth=0.01)
surfacenormal = array([0, 0, 1])
#########################################
# the k-space and diffraction plane
la.cal_kbasis()
kbasis = la.get('kbasis')
planenormal = h * kbasis[0] + k * kbasis[1] + l * kbasis[2]
theta = arcsin(vlen(planenormal) / k_photon / 2)
##########################################
#angle between diffraction plane and surface
theta1 = arccos(vlen(planenormal * array([0, 0, 1])) / vlen(planenormal))
phi1 = arctan(planenormal[1] / planenormal[0])
textwidth = 0.005
#######################
# the surface
x, y = mgrid[-100:101, -100:101] / 100 * a
z = x - x
mlab.mesh(x, y, z, opacity=0.5)
text = 'film surface'
mlab.text(1.1 * a, 0, 'film surface', z=0, width=len(text) * textwidth)
c_axis=array([0.,0.,1.])*c;
axis=array([a_axis,b_axis,c_axis]);
la=Lattice(basis=axis);
at=Atom();
at.set('position',zeros(3));
la.plot3d_basis(labelwidth = 0.01);
surfacenormal=array([0,0,1])
#########################################
# the k-space and diffraction plane
la.cal_kbasis();
kbasis=la.get('kbasis');
planenormal = h*kbasis[0]+k*kbasis[1]+l*kbasis[2];
theta = arcsin(vlen(planenormal)/k_photon/2);
##########################################
#angle between diffraction plane and surface
theta1 = arccos(vlen(planenormal*array([0,0,1]))/vlen(planenormal));
phi1 = arctan(planenormal[1]/planenormal[0]);
textwidth=0.005;
#######################
# the surface
x,y=mgrid[-100:101,-100:101]/100*a;
z=x-x;
mlab.mesh(x,y,z,opacity=0.5);
text='film surface'
mlab.text(1.1*a,0,'film surface',z=0,width=len(text)*textwidth)
