def __init__(self,Beta,GFstruct,N_Matsubara_Frequencies=1025,**param):
"""
:param Beta: The inverse temperature
:param GFstruct: The structure of the Green's functions. It must be a list of tuples,
each representing a block of the Green's function. The tuples have two
elements, the name of the block and a list of indices. For example:
[ ('up', [1,2,3]), ('down', [1,2,3]) ].
:param N_Matsubara_Frequencies: (Optional, default = 1025) How many Matsubara frequencies
are used for the Green's functions.
:param param: A list of extra parameters, described below.
"""
# For backward compatibility
self.update_params(param)
parameters.check_no_parameters_not_in_union_of_dicts(param, self.Required, self.Optional)
SolverBase.__init__(self,GFstruct,param)
self.beta = float(Beta)
self.Verbosity = 2 if mpi.rank ==0 else 0
# Green function in frequencies
a_list = [a for a,al in self.GFStruct]
glist = [ GfImFreq(indices = al, beta = self.beta, n_matsubara =N_Matsubara_Frequencies) for a,al in self.GFStruct]
self.G0 = BlockGf(name_list = a_list, block_list = glist, make_copies=False, name="G0")
self.G = BlockGf(name_block_generator = self.G0, make_copies=True, name="G")
self.F = BlockGf(name_block_generator = self.G0, make_copies=True, name="F")
self.Sigma = BlockGf(name_block_generator = self.G0, make_copies=True, name="Sigma")
self.Sigma_Old = BlockGf(name_block_generator = self.G0, make_copies=True, name="Sigma_Old")
self.name = 'Hybridization Expansion'
# first check that all indices of the Green Function do correspond to a C operator.
for a,alpha_list in self.GFStruct :
for alpha in alpha_list :
if (a,alpha) not in operators.C_list_names() :
raise "Error : Some indices (%s,%s) of the Green function do not correspond to existing operator"%(a,alpha)
def __init__(self,Beta,GFstruct,**param):
self.beta = float(Beta)
parameters.check_no_parameters_not_in_union_of_dicts (param,self.Required, self.Optional)
if 'Nmsb' not in param : param['Nmsb'] = 1025
if 'Nspin' not in param : param['Nspin'] = 2
SolverBase.__init__(self,GFstruct,param)
# construct Greens functions:
self.a_list = [a for a,al in self.GFStruct]
glist = lambda : [ GfImFreq(indices = al, beta = self.beta, n_matsubara = self.Nmsb) for a,al in self.GFStruct]
self.G = BlockGf(name_list = self.a_list, block_list = glist(),make_copies=False)
self.G_Old = self.G.copy()
self.G0 = self.G.copy()
self.Sigma = self.G.copy()
self.Sigma_Old = self.G.copy()
M = [x for x in self.G.mesh]
self.zmsb = numpy.array([x for x in M],numpy.complex_)
# for the tails:
self.tailtempl={}
for sig,g in self.G:
self.tailtempl[sig] = copy.deepcopy(g._tail)
for i in range(11): self.tailtempl[sig][i].array[:] *= 0.0
self.name=''
# effective atomic levels:
if self.UseSpinOrbit: self.NSpin=2
self.ealmat = numpy.zeros([self.Nlm*self.Nspin,self.Nlm*self.Nspin],numpy.complex_)