def __init__(self,beta,U_int,J_hund,l,n_msb=1025,T=None, use_spin_orbit=False, verbosity=0):
#If T is specified, it is used to transform the Basis set
Nlm=2*l+1
if (use_spin_orbit):
# no blocks!
GFstruct = [ ('ud', range(2*Nlm)) ]
else:
# up/down blocks:
GFstruct = [ ('up', range(Nlm)), ('down', range(Nlm)) ]
# U matrix:
#l = (Nlm-1)/2
Umat = Umatrix(U_interact=U_int, J_hund=J_hund, l=l)
Umat(T=T)
Umat.reduce_matrix()
assert (Umat.N==Umat.Nmat),"Transformation that mixes spins is not implemented in hubbard_I Solver!!"
# now we have the reduced matrices U and Up
SolverBaseHub.__init__(self, Beta=beta, GFstruct=GFstruct, Nlm=Nlm, Nmsb = n_msb, UseSpinOrbit = use_spin_orbit, Verbosity=verbosity)
self.ur = Umat.Ufull
self.umn = Umat.Up # reduced matrix, opposite spins
self.ujmn = Umat.U # reduced matrix, same spins
# Define Atomic Levels Dictionary according to the GF Bloc Structure
self.Eff_Atomic_Levels = {}
for a,al in GFstruct:
if (self.UseSpinOrbit):
self.Eff_Atomic_Levels[a] = numpy.zeros([self.Nlm*2,self.Nlm*2],numpy.complex_)
else:
self.Eff_Atomic_Levels[a] = numpy.zeros([self.Nlm,self.Nlm],numpy.complex_)
# # TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY # WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS # FOR A PARTICULAR PURPOSE. See the GNU General Public License for more # details. # # You should have received a copy of the GNU General Public License along with # TRIQS. If not, see <http://www.gnu.org/licenses/>. # ################################################################################ from pytriqs.base.archive import * import numpy from pytriqs.dft.U_matrix import Umatrix U = Umatrix(U_interact = 2.0, J_hund = 0.5, l=2) T = numpy.zeros([5,5],numpy.complex_) sqtwo = 1.0/numpy.sqrt(2.0) T[0,0] = 1j*sqtwo T[0,4] = -1j*sqtwo T[1,1] = -1j*sqtwo T[1,3] = -1j*sqtwo T[2,2] = 1.0 T[3,1] = -sqtwo T[3,3] = sqtwo T[4,0] = sqtwo T[4,4] = sqtwo U(T=T)