def solve_lattice_bse(parm, momsus=False):
print '--> solve_lattice_bse'
print 'nw =', parm.nw
print 'nwf =', parm.nwf
# ------------------------------------------------------------------
# -- Setup lattice
bl = BravaisLattice([(1, 0, 0), (0, 1, 0)])
bz = BrillouinZone(bl)
bzmesh = MeshBrillouinZone(bz, n_k=1) # only one k-point
e_k = Gf(mesh=bzmesh, target_shape=[1, 1])
e_k *= 0.
# ------------------------------------------------------------------
# -- Lattice single-particle Green's function
mesh = MeshImFreq(beta=parm.beta, S='Fermion', n_max=parm.nwf_gf)
parm.Sigma_iw = parm.G_iw.copy()
G0_iw = parm.G_iw.copy()
G0_iw << inverse(iOmega_n + 0.5 * parm.U)
parm.Sigma_iw << inverse(G0_iw) - inverse(parm.G_iw)
parm.mu = 0.5 * parm.U
g_wk = lattice_dyson_g_wk(mu=parm.mu, e_k=e_k, sigma_w=parm.Sigma_iw)
g_wr = fourier_wk_to_wr(g_wk)
# ------------------------------------------------------------------
# -- Non-interacting generalized lattice susceptibility
chi0_wr = chi0r_from_gr_PH(nw=parm.nw, nnu=parm.nwf, gr=g_wr)
chi0_wk = chi0q_from_chi0r(chi0_wr)
# ------------------------------------------------------------------
# -- Solve lattice BSE
parm.chi_wk = chiq_from_chi0q_and_gamma_PH(chi0_wk, parm.gamma_m)
# ------------------------------------------------------------------
# -- Store results and static results
num = np.squeeze(parm.chi_wk.data.real)
ref = np.squeeze(parm.chi_m.data.real)
diff = np.max(np.abs(num - ref))
print 'diff =', diff
parm.chi_w = chiq_sum_nu_q(parm.chi_wk) # static suscept
return parm
def bubble_setup(beta, mu, tb_lattice, nk, nw, sigma_w=None):
print tprf_banner(), "\n"
print 'beta =', beta
print 'mu =', mu
print 'sigma =', (not (sigma == None))
norb = tb_lattice.NOrbitalsInUnitCell
print 'nk =', nk
print 'nw =', nw
print 'norb =', norb
print
ntau = 4 * nw
ntot = np.prod(nk) * norb**4 + np.prod(nk) * (nw + ntau) * norb**2
nbytes = ntot * np.complex128().nbytes
ngb = nbytes / 1024.**3
print 'Approx. Memory Utilization: %2.2f GB\n' % ngb
periodization_matrix = np.diag(np.array(list(nk), dtype=np.int32))
#print 'periodization_matrix =\n', periodization_matrix
bz = BrillouinZone(tb_lattice.bl)
bzmesh = MeshBrillouinZone(bz, periodization_matrix)
print '--> ek'
e_k = ek_tb_dispersion_on_bzmesh(tb_lattice, bzmesh, bz)
if sigma is None:
print '--> g0k'
wmesh = MeshImFreq(beta=beta, S='Fermion', n_max=nw)
g_wk = lattice_dyson_g0_wk(mu=mu, e_k=e_k, mesh=wmesh)
else:
print '--> gk'
sigma_w = strip_sigma(nw, beta, sigma)
g_wk = lattice_dyson_g_wk(mu=mu, e_k=e_k, sigma_w=sigma_w)
print '--> gr_from_gk (k->r)'
g_wr = fourier_wk_to_wr(g_wk)
del g_wk
print '--> grt_from_grw (w->tau)'
g_tr = fourier_wr_to_tr(g_wr)
del g_wr
if sigma is None:
return g_tr
else:
return g_tr, sigma_w
(-1, ): t,
},
orbital_positions=[(0, 0, 0)] * norb,
)
kmesh = t_r.get_kmesh(n_k=(8, 1, 1))
e_k = t_r.fourier(kmesh)
print(e_k.data)
kmesh = e_k.mesh
wmesh = MeshImFreq(beta, 'Fermion', nw)
g_wk = lattice_dyson_g0_wk(mu=mu, e_k=e_k, mesh=wmesh)
V_k = Gf(mesh=kmesh, target_shape=[norb] * 4)
V_k.data[:] = V
print('--> pi_bubble')
PI_wk = bubble_PI_wk(g_wk)
print('--> screened_interaction_W')
Wr_wk = retarded_screened_interaction_Wr_wk(PI_wk, V_k)
print('--> gw_self_energy')
sigma_wk = gw_sigma_wk(Wr_wk, g_wk, fft_flag=True)
sigma_wk_ref = gw_sigma_wk(Wr_wk, g_wk, fft_flag=False)
np.testing.assert_array_almost_equal(sigma_wk.data, sigma_wk_ref.data)
print('--> lattice_dyson_g_wk')
g_wk = lattice_dyson_g_wk(mu, e_k, sigma_wk)
from common import *
from triqs_tprf.linalg import inverse_PH
from triqs_tprf.chi_from_gg2 import chi0_from_gg2_PH
from triqs_tprf.utilities import G2_loc_fixed_fermionic_window_python
from triqs_tprf.lattice import lattice_dyson_g_wk
from triqs_tprf.bse import solve_lattice_bse
# -- Solve the lattice BSE for several fermionic window sizes
for nwf in [8, 10, 12, 20]:
with HDFArchive('data_g2.h5', 'r') as a:
p = a['p']
p.nwf, p.tail_corr_nwf = nwf, 100
# -- DMFT impurity vertex
p.chi_m = p.G2_iw_ph[('up', 'up')] - p.G2_iw_ph[('up', 'do')]
p.chi_m = G2_loc_fixed_fermionic_window_python(p.chi_m, nwf=p.nwf)
p.chi0_m = chi0_from_gg2_PH(p.G_w['up'], p.chi_m)
p.gamma_m = inverse_PH(p.chi0_m) - inverse_PH(p.chi_m)
# -- Lattice BSE
g_wk = lattice_dyson_g_wk(mu=p.mu, e_k=p.e_k, sigma_w=p.sigma_w)[0:1, 0:1]
p.chi_kw, p.chi0_kw = solve_lattice_bse(g_wk,
p.gamma_m,
tail_corr_nwf=p.tail_corr_nwf)
with HDFArchive('data_bse_nwf{:03d}.h5'.format(nwf), 'w') as a:
a['p'] = p