def make_calc():
# ------------------------------------------------------------------
# -- Hamiltonian
p = ParameterCollection(
beta = 0.5,
U = 0.5,
nw = 1,
nwf = 15,
V = 1.0,
eps = 0.2,
)
p.nwf_gf = 4 * p.nwf
p.mu = 0.5*p.U
# ------------------------------------------------------------------
ca_up, cc_up = c('0', 0), c_dag('0', 0)
ca_do, cc_do = c('0', 1), c_dag('0', 1)
ca0_up, cc0_up = c('1', 0), c_dag('1', 0)
ca0_do, cc0_do = c('1', 1), c_dag('1', 1)
docc = cc_up * ca_up * cc_do * ca_do
nA = cc_up * ca_up + cc_do * ca_do
hybridiz = p.V * (cc0_up * ca_up + cc_up * ca0_up + cc0_do * ca_do + cc_do * ca0_do)
bath_lvl = p.eps * (cc0_up * ca0_up + cc0_do * ca0_do)
p.H_int = p.U * docc
p.H = -p.mu * nA + p.H_int + hybridiz + bath_lvl
# ------------------------------------------------------------------
# -- Exact diagonalization
# Conversion from TRIQS to Pomerol notation for operator indices
# TRIQS: block_name, inner_index
# Pomerol: site_label, orbital_index, spin_name
index_converter = {
('0', 0) : ('loc', 0, 'up'),
('0', 1) : ('loc', 0, 'down'),
('1', 0) : ('loc', 1, 'up'),
('1', 1) : ('loc', 1, 'down'),
}
# -- Create Exact Diagonalization instance
ed = PomerolED(index_converter, verbose=True)
ed.diagonalize(p.H) # -- Diagonalize H
p.gf_struct = [['0', [0, 1]]]
# -- Single-particle Green's functions
p.G_iw = ed.G_iw(p.gf_struct, p.beta, n_iw=p.nwf_gf)['0']
# -- Particle-particle two-particle Matsubara frequency Green's function
opt = dict(
beta=p.beta, gf_struct=p.gf_struct,
blocks=set([("0", "0")]),
n_iw=p.nw, n_inu=p.nwf)
p.G2_iw_ph = ed.G2_iw_inu_inup(channel='PH', **opt)[('0', '0')]
filename = 'data_pomerol.h5'
with HDFArchive(filename,'w') as res:
res['p'] = p
import os
os.system('tar czvf data_pomerol.tar.gz data_pomerol.h5')
os.remove('data_pomerol.h5')
)
p.version = ParameterCollection()
p.version.grab_attribs(version, ['version', 'ctint_hash', 'triqs_hash'])
# -- The alpha tensor
p.diag = 0.5 + p.delta
p.odiag = 0.5 - p.delta
p.solve.alpha = [[[p.diag, p.odiag] for i in indices]
for bl, indices in p.gf_struct]
# -- Total impurity hamiltonian and interaction part
p.H_0 = -p.mu * (n('up', 0) + n('dn', 0)) - p.h * (n('up', 0) - n('dn', 0))
p.H_int = p.U * n('up', 0) * n('dn', 0)
p.H = p.H_0 + p.H_int
p.solve.h_int = p.H_int
# -- Non-Interacting Impurity Green function
iw_mesh = MeshImFreq(p.beta, 'Fermion', p.n_iw)
p.G0_iw = Gf_from_struct(mesh=iw_mesh, struct=p.gf_struct)
h_field_dict = dict(up=p.h, dn=-p.h)
for name, g0_iw in p.G0_iw:
h_field = h_field_dict[name]
g0_iw << inverse(iOmega_n + p.mu + h_field)
# -- CTINT