from pytriqs.gf import *
from pytriqs.gf.gf_fnt import rebinning_tau
from pytriqs.archive import *
from pytriqs.plot.mpl_interface import oplot
with HDFArchive('slater_five_band.h5', 'r') as ar:
# Calculate orbital- and spin-averaged Green's function
G_tau = ar['G_tau-1']
g = G_tau['up_0']
# This gives a complex valued gf (required by rebinning_tau)
g_tau_ave = Gf(mesh=g.mesh, target_shape=g.target_shape)
for name, g in G_tau:
g_tau_ave += g
g_tau_ave = g_tau_ave / 10.
g_tau_rebin = rebinning_tau(g_tau_ave, 1000)
g_tau_rebin.name = r'$G_{\rm ave}$'
oplot(g_tau_rebin, linewidth=2, label='G_avg')
N_max = 10
arch = HDFArchive('nonint.h5', 'r')
for i in arch:
subarch = arch[i]
pp = PdfPages("G_nonint_%s.pdf" % i)
G_tau = subarch['G_tau']
V = subarch['V']
e = subarch['e']
beta = G_tau.mesh.beta
n_tau = len(G_tau.mesh)
for m, b in enumerate(G_tau.indices):
g_theor = GfImTime(indices=[0], beta=beta, n_points=n_tau)
e1 = e[m] - V[m]
e2 = e[m] + V[m]
g_theor_w = GfImFreq(indices=[0], beta=beta)
g_theor_w << 0.5 * inverse(iOmega_n - e1) + 0.5 * inverse(iOmega_n -
e2)
g_theor << InverseFourier(g_theor_w)
plt.clf()
G_bin = rebinning_tau(G_tau[b], 200)
oplot(G_bin[0, 0], name="cthyb")
oplot(g_theor[0, 0], name="Theory")
pp.savefig(plt.gcf())
pp.close()
plt.bar(index-0.13, y_N1_up, bottom=y_N1_dn, align='center', width=0.15, color = 'tomato', label = '$\\uparrow$' )
plt.bar(index+0.13, y_N2_up, bottom=y_N2_dn, align='center', width=0.15, color = 'tomato')
plt.legend(loc = 'upper center', fontsize = 9)
pp.savefig()
pp.close()
# Plot Green's functions
pp = PdfPages('G_tau_mg_beta%.0f_prob%.2f.pdf' % (beta,move_global_prob))
mg_pairs = [(a,b) for a,b in product(all_mg,all_mg) if a<b]
spin_labels = {'up':'$\uparrow\uparrow$', 'dn':'$\downarrow\downarrow$'}
for mg1, mg2 in mg_pairs:
plt.clf()
for s, i in product(('up','dn'),(0,1)):
G_tau_1 = rebinning_tau(arch[mg1]['G_tau'][s], plot_n_tau)
G_tau_2 = rebinning_tau(arch[mg2]['G_tau'][s], plot_n_tau)
oplot(G_tau_1[i,i], alpha=0.25, mode='R', label="%s,%s,%i%i" % (mg1,s,i,i))
oplot(G_tau_2[i,i], alpha=0.25, mode='R', label="%s,%s,%i%i" % (mg2,s,i,i))
plt.title("Test move_global $\\beta$ = %.0f, move_global_prob = %.3f" % (beta,move_global_prob), fontsize=12)
plt.ylim(-0.6,0.05)
plt.ylabel('$G(\\tau)$')
plt.legend(loc = 'lower center', fontsize = 9)
pp.savefig()
pp.close()
num_orbitals = 2
pp = PdfPages('G.pdf')
ed_arch = HDFArchive('kanamori_offdiag.ed.h5', 'r')
for use_qn in (True, False):
file_name = "kanamori_offdiag"
if use_qn: file_name += ".qn"
file_name += ".h5"
try:
arch = HDFArchive(file_name, 'r')
name = "cthyb (QN)" if use_qn else "cthyb"
GF_up = rebinning_tau(arch['G_tau']['up'], 200)
GF_dn = rebinning_tau(arch['G_tau']['dn'], 200)
ed_opt = dict(lw=2.0, alpha=1.0)
cthyb_opt = dict(lw=1.0, alpha=1.0)
for o1, o2 in product(range(num_orbitals), repeat=2):
plt.clf()
plt.title('using_qn = ' + str(use_qn))
oplot(ed_arch['up'][o1, o2],
name="ED,$\uparrow%i%i$" % (o1, o2),
**ed_opt)
oplotr(GF_up[o1, o2],
name=name + ",$\uparrow%i%i$" % (o1, o2),
**cthyb_opt)
oploti(GF_up[o1, o2],
e = delta_params[cn]['e']
e1 = e - V
e2 = e + V
g_theor_w = GfImFreq(indices = [0], beta=beta, n_points=10)
g_theor_w << 0.5*inverse(iOmega_n - e1) + 0.5*inverse(iOmega_n - e2)
g_theor[nc,nc] << InverseFourier(g_theor_w)
pp = PdfPages('G.pdf')
for sn in spin_names:
for nc, cn in enumerate(orb_names):
plt.clf()
gf = rebinning_tau(arch['G_tau'][mkind(sn,cn)[0]],200)
# Plot the results
oplot(gf, name="cthyb")
# Plot the reference curve
if use_interaction:
oplot(g_ref[nc,nc], name="ED")
else:
oplot(g_theor[nc,nc], name="ED")
axes = plt.gca()
axes.set_title('$' + sn + '$, $' + cn + '$')
axes.set_xlabel('$\\tau$')
axes.set_ylabel('$G(\\tau)$')
axes.set_ylim(-1,0)
axes.legend(loc='lower center',prop={'size':14})
num_orbitals = 2
pp = PdfPages('G.pdf')
ed_arch = HDFArchive('kanamori.ed.h5', 'r')
for use_qn in (True, False):
file_name = "kanamori"
if use_qn: file_name += ".qn"
file_name += ".h5"
try:
arch = HDFArchive(file_name, 'r')
plt.clf()
name = "cthyb (QN)" if use_qn else "cthyb"
for o in range(num_orbitals):
oplot(rebinning_tau(arch['G_tau']['up_%i' % o], 200),
name=name + ",$\uparrow%i$" % o)
oplot(rebinning_tau(arch['G_tau']['dn_%i' % o], 200),
name=name + ",$\downarrow%i$" % o)
oplot(ed_arch['up-%i' % o], name="ED,$\uparrow%i$" % o)
oplot(ed_arch['dn-%i' % o], name="ED,$\downarrow%i$" % o)
setup_fig()
pp.savefig(plt.gcf())
except IOError:
pass
pp.close()
# Plot G(\tau)
pp = PdfPages('G_asymm_bath.pdf')
for e_group_name in arch:
e_group = arch[e_group_name]
e_group_ed = arch_ed[e_group_name]
beta = e_group['beta']
U = e_group['U']
ed = e_group['ed']
V = e_group['V']
e = e_group['e']
plt.clf()
oplot(rebinning_tau(e_group['G_tau']['up'],300),name="CTHYB,$\uparrow\uparrow$")
oplot(rebinning_tau(e_group['G_tau']['dn'],300),name="CTHYB,$\downarrow\downarrow$")
#oplot(rebinning_tau(e_group_ed['G_tau']['up'],300),name="ED,$\uparrow\uparrow$")
#oplot(rebinning_tau(e_group_ed['G_tau']['dn'],300),name="ED,$\downarrow\downarrow$")
oplot(e_group_ed['G_tau']['up'],name="ED,$\uparrow\uparrow$")
oplot(e_group_ed['G_tau']['dn'],name="ED,$\downarrow\downarrow$")
a = plt.gca()
a.set_ylabel('$G(\\tau)$')
a.set_xlim((0,beta))
a.set_ylim((-1,0))
a.legend(loc='lower right',prop={'size':8})
a.set_title("$U=%.1f$, $\epsilon_d=%.1f$, $V=%.1f$, $\epsilon_k=%.1f$" % (U,ed,V,e))
mkind = lambda spin: (spin, 0) if use_blocks else ("tot", spin)
try:
arch = HDFArchive(file_name, 'r')
plt.clf()
name_parts = []
if use_blocks: name_parts.append('Block')
if use_qn: name_parts.append('QN')
name = 'cthyb' + (' (' + ', '.join(name_parts) +
')' if len(name_parts) else '')
for spin in spin_names:
bn, i = mkind(spin)
GF = rebinning_tau(arch['G_tau'][bn], 500)
if use_blocks:
oplot(GF,
name=name + "," + {
'up': "$\uparrow\uparrow$",
'dn': "$\downarrow\downarrow$"
}[spin])
else:
i = spin_names.index(i)
oplot(GF[i, i],
name=name + "," + {
'up': "$\uparrow\uparrow$",
'dn': "$\downarrow\downarrow$"
}[spin])
oplot(ed_arch[spin],
name="ED," + {
N_max = 10
arch = HDFArchive('nonint.h5', 'r')
for i in arch:
subarch = arch[i]
pp = PdfPages("G_nonint_%s.pdf" % i)
G_tau = subarch['G_tau']
V = subarch['V']
e = subarch['e']
beta = G_tau.mesh.beta
n_tau = len(G_tau.mesh)
for m, b in enumerate(G_tau.indices):
g_theor = GfImTime(indices=[0], beta=beta, n_points=n_tau)
e1 = e[m] - V[m]
e2 = e[m] + V[m]
g_theor_w = GfImFreq(indices=[0], beta=beta)
g_theor_w << 0.5 * inverse(iOmega_n - e1) + 0.5 * inverse(iOmega_n -
e2)
g_theor[0, 0] << InverseFourier(g_theor_w)
plt.clf()
oplot(rebinning_tau(G_tau[b][0, 0], 200), name="cthyb")
oplot(g_theor[0, 0], name="Theory")
pp.savefig(plt.gcf())
pp.close()