#EXAMPLE# DMFT on a square lattice , 1-band Hubbard model, QMC solver, normal state, AF self-consistency condition.
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#       To load Sigma(w) 
# put the correct path or '' to avoid loading
# It must be a correct path from the directory 
# where the lisa script is executed
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Reload_Sigma = False

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#   General parameters
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# Maximum number of iterations of the main loop
N_Iter_SelfCons_Max           = 10                          

# Temperature
Beta                          = 1.0                          # 1/Temperature
is_SUPRA = False

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#   Scheme 
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SCHEME = "CDMFT_SQUARE_LATTICE"
DMFT_SOLVER = True
AF_TP_ORDER = False 
form_init_sigma = 'None'

Number_Points_in_Brillouin_Zone =8

#####################################
# Forcing terms
# list on orbital indices
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Forcing_SC      = [0.0]
Forcing_AF      = [0.0]
Forcing_F       = [0.0]
Forcing_DDW     = [0.0]
Field_Staggering   = [ [1], [-1], [-1], [1]]
DMFT_Staggering = [ 1, -1, -1, 1]
Rm_Forcing_after_1_iteration = True


#####################################
# Should we compute at fixed density ?
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Fix_Density = True
Chemical_potential_init    =  0.0 + 5

# Not used if fixdoping=False but required for compilation
doping                      =  0.1
Density_Required            =  1 - doping
Precision_Density           =  0.01
Delta_Chemical_Potential   =  0.5   # MUST be non 0 or it crashes the code !!
Max_loop_mu                =  10
Nbre_Iter_wait_adjust_dop  =   0


#####################################
#
#  Original lattice
#
#####################################

Dimension_Space =2

Lattice_Unit = [(1,0,0) , (0,1,0) ]

# The correlated orbitals MUST be given first.
Orbital_positions=[ (0,0,0) ]

# Number of correlated orbitals
N_Correlated_Orbitals = 1
N_Correlated_Orbitals = min(N_Correlated_Orbitals,len(Orbital_positions))  # For distracted people ...

Lattice_t          =  -0.25                         # First neighbour Hopping
Lattice_tp         =  1.0*Lattice_t             # Second neighbour Hopping
Lattice_tpp        =  0.0*Lattice_t            # Second neighbour Hopping '

# Define the hoppings ....
# The syntax is Hopping[ Displacement on the lattice] = [[t11,t12,t13....],[t21,t22,t23....],...,[....,tnn]]
# where n=Number_Orbitals

Hopping={}
Hopping[ (1,0)  ] = [[ Lattice_t]] 
Hopping[ (-1,0) ] = [[ Lattice_t]] 
Hopping[ (0,1)  ] = [[ Lattice_t]] 
Hopping[ (0,-1) ] = [[ Lattice_t]] 
Hopping[ (1,1)  ] = [[ Lattice_tp]] 
Hopping[ (-1,-1)] = [[ Lattice_tp]] 
Hopping[ (1,-1) ] = [[ Lattice_tpp]] 
Hopping[ (-1,1) ] = [[ Lattice_tpp]] 

####################################################################################
# 
#   Super Lattices : 
#   Here we define the cluster  : 
#   positions of the unit cells composing the cluster
#   Lattice_Tiling_Unit are the unit vectors of the super cell : 
#     - given in the unit of the original lattice : their coordinate MUST be integers
#     - You have to give a list of such vector, one for each superlattice
#
#   Cluster_positions : 
#     - Used for labelling : must ALL be in the super-cell
#     - again a list, one for each superlattic    
#
####################################################################################

Lattice_Tiling_Unit = [ (2,0), (0,2) ]

#Cluster_Position = []
 
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#   Interactions
#   Must be a matrix .....
   
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import utils

U_interact         = 10.0          # The Coulomb interaction 
U_matrix_anti = utils.ScalarMatrix(1,U_interact)
U_matrix_para = utils.ScalarMatrix(1,0.0)


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# Choose the solver 

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Solver = "QMC_Hirsh_Fye"

QMC_Number_Time_Slices            =  10 #int(1.0*Beta* 2.0 )
QMC_N_cycles_MAX              = 5000 #32*1000                       # Maximum number of Monte Carlo iterations
QMC_Compute_Susceptibility        = True

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# Where to we put the data ?

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Data_Directory = 'ess-Beta%3.2f-tp%3.2f'%(Beta,Lattice_tp/Lattice_t)
Data_OverWrite = True