Mean-field Hubbard model (hubbard)

Package for mean-field Hubbard approximation

Self Consistent field class

HubbardHamiltonian(TBHam[, n, U, Uij, q, ...])

A class to create a Self Consistent field (SCF) object related to the mean-field Hubbard (MFH) model

NEGF(Hdev, elec_SE, elec_idx[, CC, V])

This class creates the open quantum system object for a N-terminal device

calc_n(H, q)

General method to obtain the spin densities for periodic or finite systems at a given temperature

Read and write in binary files

ncSileHubbard(filename[, mode, lvl, access])

Read and write hubbard.HubbardHamiltonian object in binary files (netCDF4 support)

Build the specific TB Hamiltonian for a sp2 system

sp2(ext_geom[, t1, t2, t3, eB, eN, s1, s2, ...])

Function to create a Tight Binding Hamiltoninan for sp2 Carbon systems

Create real space grid for a geometry and supercell

real_space_grid(geometry, sc, vector, shape)

Create real space sisl.Grid object for a sisl.Geometry and a sisl.Supercell