def Fmat00(E,L,alpha):
shells = shell_list(E,L)
F_list = []
for nnk in shells:
F_list += [sums.F2KSS(E,L,nnk,0,0,0,0,alpha)] * len(shell_nnk_list(nnk))
return np.diag(F_list)
def Fmat00_A1(E, L, alpha):
shells = shell_list(E, L)
F_list = []
for nnk in shells:
# All k's in the same shell give the same F(k) (s-wave case only)
F_list.append(sums.F2KSS(E, L, nnk, 0, 0, 0, 0, alpha))
return np.diag(F_list)
def F2_22_matrix(e, L, m1, m2):
alpha = 0.5
nklist = list_nnk(e, L)
F2_22 = []
for nnk in nklist:
#print(nnk)
res = sums.F2KSS(e, L, nnk, 2, m1, 2, m2, alpha)
F2_22.append(res)
return np.diag(F2_22)
def F2_20_matrix(e, L, m):
nklist = list_nnk(e, L)
alpha = 0.5
F2_20 = []
for nnk in nklist:
res = sums.F2KSS(e, L, nnk, 2, m, 0, 0, alpha)
F2_20.append(res)
return np.diag(F2_20)
def F2_02_matrix(e, L, m):
nklist = list_nnk(e, L)
alpha = 0.5
F2_02 = []
for nnk in nklist:
# print(nnk)
res = sums.F2KSS(e, L, nnk, 0, 0, 2, m, alpha)
F2_02.append(res)
return np.diag(F2_02)
def Fmat00(E, L, alpha, IPV=0):
shells = shell_list(E, L)
F_list = []
for nnk in shells:
nk = sums.norm(nnk)
k = nk * 2 * math.pi / L
hhk = sums.hh(E, k)
omk = sqrt(1. + k**2)
F_list += [(sums.F2KSS(E, L, nnk, 0, 0, 0, 0, alpha) + hhk * IPV /
(32 * math.pi * 2 * omk))] * len(shell_nnk_list(nnk))
# print(F_list)
return np.diag(F_list)
def full_F2_00_matrix(e, L):
alpha = 0.5
nklist = list_nnk(e, L)
F2_00 = []
for nnk in nklist:
res = sums.F2KSS(e, L, nnk, 0, 0, 0, 0, alpha)
F2_00.append(res)
return np.diag(F2_00)
def H(E, L, npvec, lp, mp, nkvec, l, m, a0, r0, P0, a2, alpha):
if nkvec == npvec:
F2term = sums.F2KSS(E, L, nkvec, lp, mp, l, m, alpha)
if l == lp and m == mp:
kvec = [i * 2 * pi / L for i in nkvec]
K2term = K2i_mat.K2inv(E, kvec, l, m, a0, r0, P0, a2)
else:
K2term = 0
else:
F2term = 0
K2term = 0
# may have (lp,mp) and (l,m) reversed in F2KSS
return K2term + F2term + Gmatrix.G(E, L, npvec, nkvec, lp, mp, l, m)
def Fmat_k(E, L, nnk, alpha):
# k=(0,0,0)
if nnk == [0, 0, 0]:
a = sums.F2KSS(E, L, nnk, 0, 0, 0, 0, alpha)
b = sums.F2KSS(E, L, nnk, 2, -2, 2, -2, alpha)
c = sums.F2KSS(E, L, nnk, 2, 0, 2, 0, alpha)
return np.diag([a, b, b, c, b, c])
# k=(0,0,a)
elif nnk[0] == nnk[1] == 0:
a = sums.F2KSS(E, L, nnk, 0, 0, 0, 0, alpha)
b = sums.F2KSS(E, L, nnk, 2, -2, 2, -2, alpha)
c = sums.F2KSS(E, L, nnk, 2, -1, 2, -1, alpha)
d = sums.F2KSS(E, L, nnk, 2, 0, 2, 0, alpha)
e = sums.F2KSS(E, L, nnk, 2, 2, 2, 2, alpha)
f = sums.F2KSS(E, L, nnk, 0, 0, 2, 0, alpha)
out = np.diag([a, b, c, d, c, e])
out[0][3] = f
out[3][0] = f
return out
# k=(a,a,0)
elif nnk[0] == nnk[1] != 0 and nnk[2] == 0:
a = sums.F2KSS(E, L, nnk, 0, 0, 0, 0, alpha)
b = sums.F2KSS(E, L, nnk, 2, -2, 2, -2, alpha)
c = sums.F2KSS(E, L, nnk, 2, -1, 2, -1, alpha)
d = sums.F2KSS(E, L, nnk, 2, 0, 2, 0, alpha)
e = sums.F2KSS(E, L, nnk, 2, 2, 2, 2, alpha)
f = sums.F2KSS(E, L, nnk, 0, 0, 2, -2, alpha)
g = sums.F2KSS(E, L, nnk, 0, 0, 2, 0, alpha)
h = sums.F2KSS(E, L, nnk, 2, -2, 2, 0, alpha)
i = sums.F2KSS(E, L, nnk, 2, -1, 2, 1, alpha)
out = np.diag([a, b, c, d, c, e])
out[0][1] = f
out[1][0] = f
out[0][3] = g
out[3][0] = g
out[1][3] = h
out[3][1] = h
out[2][4] = i
out[4][2] = i
return out
# k=(a,a,a)
elif nnk[0] == nnk[1] == nnk[2] != 0:
a = sums.F2KSS(E, L, nnk, 0, 0, 0, 0, alpha)
b = sums.F2KSS(E, L, nnk, 2, -2, 2, -2, alpha)
c = sums.F2KSS(E, L, nnk, 2, 0, 2, 0, alpha)
d = sums.F2KSS(E, L, nnk, 0, 0, 2, -2, alpha)
e = sums.F2KSS(E, L, nnk, 2, -2, 2, -1, alpha)
f = sums.F2KSS(E, L, nnk, 2, -1, 2, 0, alpha)
out = np.array([[a, d, d, 0, d, 0], [d, b, e, -2 * f, e, 0],
[d, e, b, f, e, -sqrt(3) * f], [0, -2 * f, f, c, f, 0],
[d, e, e, f, b, sqrt(3) * f],
[0, 0, -sqrt(3) * f, 0,
sqrt(3) * f, c]])
return out
# k=(a,b,0)
elif myabs(nnk[0]) != myabs(
nnk[1]) and nnk[2] == 0 and nnk[0] != 0 != nnk[1]:
a = sums.F2KSS(E, L, nnk, 0, 0, 0, 0, alpha)
b = sums.F2KSS(E, L, nnk, 2, -2, 2, -2, alpha)
c = sums.F2KSS(E, L, nnk, 2, -1, 2, -1, alpha)
d = sums.F2KSS(E, L, nnk, 2, 0, 2, 0, alpha)
e = sums.F2KSS(E, L, nnk, 2, 1, 2, 1, alpha)
f = sums.F2KSS(E, L, nnk, 2, 2, 2, 2, alpha)
g = sums.F2KSS(E, L, nnk, 0, 0, 2, -2, alpha)
h = sums.F2KSS(E, L, nnk, 0, 0, 2, 0, alpha)
i = sums.F2KSS(E, L, nnk, 0, 0, 2, 2, alpha)
j = sums.F2KSS(E, L, nnk, 2, -2, 2, 0, alpha)
k = sums.F2KSS(E, L, nnk, 2, -2, 2, 2, alpha)
l = sums.F2KSS(E, L, nnk, 2, -1, 2, 1, alpha)
m = sums.F2KSS(E, L, nnk, 2, 0, 2, 2, alpha)
out = np.array([[a, g, 0, h, 0, i], [g, b, 0, j, 0, k],
[0, 0, c, 0, l, 0], [h, j, 0, d, 0, m],
[0, 0, l, 0, e, 0], [i, k, 0, m, 0, f]])
return out
# k=(a,a,b)
elif nnk[0] == nnk[1] and myabs(nnk[0]) != myabs(
nnk[2]) and nnk[0] != 0 != nnk[2]:
a = sums.F2KSS(E, L, nnk, 0, 0, 0, 0, alpha)
b = sums.F2KSS(E, L, nnk, 2, -2, 2, -2, alpha)
c = sums.F2KSS(E, L, nnk, 2, -1, 2, -1, alpha)
d = sums.F2KSS(E, L, nnk, 2, 0, 2, 0, alpha)
e = sums.F2KSS(E, L, nnk, 2, 2, 2, 2, alpha)
f = sums.F2KSS(E, L, nnk, 0, 0, 2, -2, alpha)
g = sums.F2KSS(E, L, nnk, 0, 0, 2, -1, alpha)
h = sums.F2KSS(E, L, nnk, 0, 0, 2, 0, alpha)
i = sums.F2KSS(E, L, nnk, 2, -2, 2, -1, alpha)
j = sums.F2KSS(E, L, nnk, 2, -2, 2, 0, alpha)
k = sums.F2KSS(E, L, nnk, 2, -1, 2, 0, alpha)
l = sums.F2KSS(E, L, nnk, 2, -1, 2, 1, alpha)
m = sums.F2KSS(E, L, nnk, 2, -1, 2, 2, alpha)
out = np.array([[a, f, g, h, g, 0], [f, b, i, j, i, 0],
[g, i, c, k, l, m], [h, j, k, d, k, 0],
[g, i, l, k, c, -m], [0, 0, m, 0, -m, e]])
return out
# k=(a,b,c)
elif myabs(nnk[0]) != myabs(nnk[1]) != myabs(nnk[2]) != myabs(
nnk[0]) and nnk[0] != 0 != nnk[1] and nnk[2] != 0:
out = np.zeros((6, 6))
for i1 in range(6):
if i1 == 0:
l1 = 0
m1 = 0
else:
l1 = 2
m1 = i1 - 3
for i2 in range(i1, 6):
if i2 == 0:
l2 = 0
m2 = 0
else:
l2 = 2
m2 = i2 - 3
out[i1][i2] = sums.F2KSS(E, L, nnk, l1, m1, l2, m2, alpha)
if i1 != i2:
out[i2][i1] = out[i1][i2]
return out
else:
print('Not a special nnk')
