def make_calc(beta=2.0, nwf=8):
# ------------------------------------------------------------------
# -- Hubbard atom with two bath sites, Hamiltonian
p = ParameterCollection(
beta = beta,
U = 5.0,
nw = 1,
nwf = nwf,
nwf_gf = 2*nwf,
)
ana = analytic_hubbard_atom(**p.dict())
p.chi = np.sum(ana.chi_m.data) / p.beta**2
# ------------------------------------------------------------------
# -- Store to hdf5
filename = 'data_dynamic_beta%6.6f_nwf%i.h5' % (p.beta, p.nwf)
with HDFArchive(filename,'w') as res:
res['p'] = p
plt.xlabel(r'$1/n_{w}$')
plt.ylabel(r'$\max|\Gamma_{ana} - \Gamma_{num}|$')
plt.ylim([0, diff_vec.max()])
plt.xlim([0, x.max()])
plt.tight_layout()
plt.savefig('figure_bse_hubbard_atom_convergence.pdf')
plt.show()
# ----------------------------------------------------------------------
if __name__ == '__main__':
p = ParameterCollection(beta=20., U=5., nw=1, nwf=20, nwf_gf=80)
#ana = analytic_solution(**p.dict())
ana = analytic_hubbard_atom(**p.dict())
ana.gamma_m.data[:] -= p.U
ana.gamma_m_num.data[:] -= p.U
#for data in [ana.gamma_m.data, ana.gamma_m_num.data]:
# #print np.max(np.abs(data.imag))
# np.testing.assert_array_almost_equal(data.imag, np.zeros_like(data))
diff = np.max(np.abs(ana.gamma_m_num.data.imag - ana.gamma_m.data.imag))
print 'max(abs(Im[diff])) =', diff
diff = np.max(np.abs(ana.gamma_m_num.data.real - ana.gamma_m.data.real))
print 'max(abs(Re[diff])) =', diff
#exit()
print p
p.G_iw['up'].name = r'$G_{ctint, \uparrow}$'
p.G_iw['dn'].name = r'$G_{ctint, \downarrow}$'
p.chi_m = p.G2_iw[('up', 'up')] - p.G2_iw[('up', 'dn')]
parm = ParameterCollection(
U=p.U,
beta=p.beta,
nw=1,
nwf=p.n_iw / 2,
nwf_gf=p.n_iw,
)
a = analytic_hubbard_atom(**parm.dict())
a.G_iw.name = r'$G_{analytic}$'
plt.figure(figsize=(3.25 * 2, 3 * 2))
subp = [2, 2, 1]
plt.subplot(*subp)
subp[-1] += 1
oploti(p.G_iw)
oploti(a.G_iw)
plt.subplot(*subp)
subp[-1] += 1
diff = a.G_iw.copy()
diff = np.max(np.abs(num - ref))
print 'diff =', diff
parm.chi_w = chiq_sum_nu_q(parm.chi_wk) # static suscept
return parm
# ----------------------------------------------------------------------
if __name__ == '__main__':
p = analytic_hubbard_atom(
beta=1.234,
U=5.0,
nw=1,
nwf=248,
nwf_gf=2 * 248,
)
p = solve_lattice_bse(p)
# -- Tracing the analytic generalized susceptibility
p.chi_w_analytic = np.sum(p.chi_m.data) / p.beta**2
# -- Tracing the numerical generalized susceptibility
p.chi_w_ref = np.sum(p.chi_wk.data) / p.beta**2
print 'chi_w_analytic =', p.chi_w_analytic
print 'chi_w.data =', p.chi_w.data.flatten()
print 'chi_w_ref =', p.chi_w_ref
opt=opt,
idx_labels=[r'\uparrow', r'\downarrow'])
plt.show()
# ----------------------------------------------------------------------
if __name__ == '__main__':
filename = 'data_pomerol.h5'
with HDFArchive(filename, 'r') as h5:
pom = h5['p']
ana = analytic_hubbard_atom(beta=pom.beta,
U=pom.U,
nw=pom.nw,
nwf=pom.nwf,
nwf_gf=pom.nwf_gf)
# -- Compare single-particle Green's functions
np.testing.assert_array_almost_equal(pom.G_iw[0, 0].data, ana.G_iw[0,
0].data)
# -- Compare generalized susceptibility (magnetic channel)
np.testing.assert_array_almost_equal(pom.chi_m.data, ana.chi_m.data)
np.testing.assert_array_almost_equal(pom.chi0_m.data, ana.chi0_m.data)
print 'ok! Analytic chi_m agrees with ED (pomerol).'
plot_res(ana, pom)
# ----------------------------------------------------------------------
import numpy as np
from triqs.gf import *
from triqs_tprf.analytic_hubbard_atom import analytic_hubbard_atom
# ----------------------------------------------------------------------
if __name__ == '__main__':
nwf_vec = np.array([5, 10, 20, 40, 80, 160])
diff_vec = np.zeros_like(nwf_vec, dtype=np.float)
for idx, nwf in enumerate(nwf_vec):
d = analytic_hubbard_atom(beta=2.0,
U=5.0,
nw=1,
nwf=nwf,
nwf_gf=2 * nwf)
diff_vec[idx] = np.max(np.abs(d.gamma_m.data - d.gamma_m_num.data))
print('nwf, diff =', idx, nwf, diff_vec[idx])
# ------------------------------------------------------------------
# -- Plot
from triqs.plot.mpl_interface import oplot, oplotr, oploti, plt
x = 1. / nwf_vec
plt.figure(figsize=(3.25, 3))
plt.plot(x, diff_vec, 'o-', alpha=0.75)