# Add the root path of the pygra library import os ; import sys sys.path.append(os.path.dirname(os.path.realpath(__file__))+"/../../../src") # zigzag ribbon from pygra import geometry import numpy as np from pygra import embedding g = geometry.honeycomb_lattice() # create geometry of a chain #g = geometry.square_lattice() # create geometry of a chain h = g.get_hamiltonian(has_spin=False) # get the Hamiltonian,spinless # create a new intraterm, vacancy is modeled as a large onsite potential #h.shift_fermi(2.0) vintra = h.intra.copy() ; vintra[0,0] = 1000.0 from pygra import parallel #parallel.cores = 7 eb = embedding.Embedding(h,m=vintra) eb.multildos(nsuper=3)
import sys
sys.path.append(os.environ['PYGRAROOT'])
# zigzag ribbon
import numpy as np
from pygra import geometry
from pygra import scftypes
from scipy.sparse import csc_matrix
g = geometry.honeycomb_lattice()
g = g.supercell(1)
h = g.get_hamiltonian() # create hamiltonian of the system
mf = scftypes.guess(h, mode="antiferro")
U = 3.0
from pygra import embedding
mb = embedding.Embedding(h) # embedding object
from pygra import meanfield
hubbard = meanfield.hubbardscf
#hubbard = scftypes.hubbardscf
filling = 0.5
mf = meanfield.guess(h, mode="antiferro")
scf = hubbard(mb,
nk=20,
U=U,
mf=mf,
mu=0.0,
verbose=1,
constrains=["no_charge"])
#h = scf.hamiltonian # get the Hamiltonian
#h.write_magnetization()