def set_tbmodels(self, tbmodels):
"""
only difference is a colinear tag.
"""
self.tbmodel_up, self.tbmodel_dn = tbmodels
self.Gup = TBGreen(self.tbmodel_up,
self.kmesh,
self.efermi,
use_cache=self._use_cache,
cache_path='TB2J_results/cache/spinup')
self.Gdn = TBGreen(self.tbmodel_dn,
self.kmesh,
self.efermi,
use_cache=self._use_cache,
cache_path='TB2J_results/cache/spindn')
self.norb = self.Gup.norb
self.nbasis = self.Gup.nbasis + self.Gdn.nbasis
self.rho_up = np.zeros((self.norb, self.norb), dtype=float)
self.rho_dn = np.zeros((self.norb, self.norb), dtype=float)
self.JJ = defaultdict(lambda: 0.0j)
self.Jorb = defaultdict(lambda: 0.0j)
self.HR0_up = self.Gup.H0
self.HR0_dn = self.Gdn.H0
self.Delta = self.HR0_up - self.HR0_dn
if self.Gup.is_orthogonal and self.Gdn.is_orthogonal:
self.is_orthogonal = True
else:
self.is_orthogonal = False
#self.S0=self.Gup.S0
self._is_colinear = True
self.exchange_Jdict = {}
self.exchange_Jdict_orb = {}
self.biquadratic = False
def set_tbmodels(self, tbmodels):
"""
tbmodels should be in spinor form.
The basis should be orb1_up, orb2_up,...orbn_up, orb1_dn, orb2_dn....
"""
self.tbmodel = tbmodels
# TODO: check if tbmodels are really a tbmodel with SOC.
self.G = TBGreen(self.tbmodel, self.kmesh, self.efermi)
self.norb = self.G.norb
self.nbasis = self.G.nbasis
self.rho = np.zeros((self.nbasis, self.nbasis), dtype=float)
self.A_ijR = defaultdict(lambda: np.zeros((4, 4), dtype=complex))
#self.HR0 = self.tbmodel.ham_R0
self.HR0 = self.G.H0
if not self.G.is_orthogonal:
self.S0 = self.G.S0
self._is_collinear = False
self.Pdict = {}
def set_tbmodels(self, tbmodels):
"""
tbmodels should be in spinor form.
The basis should be orb1_up, orb2_up,...orbn_up, orb1_dn, orb2_dn....
"""
self.tbmodel = tbmodels
# TODO: check if tbmodels are really a tbmodel with SOC.
self.G = TBGreen(self.tbmodel,
self.kmesh,
self.efermi,
use_cache=self._use_cache,
nproc=self.np)
self.norb = self.G.norb
self.nbasis = self.G.nbasis
self.rho = np.zeros((self.nbasis, self.nbasis), dtype=complex)
self.A_ijR_list = defaultdict(lambda: [])
self.A_ijR = defaultdict(lambda: np.zeros((4, 4), dtype=complex))
self.HR0 = self.G.H0
self._is_collinear = False
self.Pdict = {}