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dipc-cc
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hubbard
Python tools for mean-field Hubbard models
https://dipc-cc.github.io/hubbard/
GNU Lesser General Public License v3.0
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enh: added possibility to compute spin-degenerate calculations
#99
sofiasanz
closed
3 years ago
15
Plot.BondOrder
#98
mlorenznano
closed
3 years ago
3
Updating Hubbard
#97
mlorenznano
closed
3 years ago
16
Disable LaTeX rendering if not available
#96
zerothi
closed
3 years ago
1
Doped-AGNR
#95
mlorenznano
closed
3 years ago
5
Improve and generalize `NEGF` class
#94
sofiasanz
opened
3 years ago
0
Zak-phase of pristine AGNR
#93
mlorenznano
closed
3 years ago
6
Revised documentation
#92
sofiasanz
closed
3 years ago
14
Calculating open structures
#91
mlorenznano
closed
3 years ago
6
Set zero polarization on specific atomic site
#90
fran96r
closed
3 years ago
10
Renamed variable `dm` for `n` (as it appears in the Hubbard Hamiltonian)
#89
sofiasanz
closed
3 years ago
4
Generalized LDOS plots
#88
tfrederiksen
closed
3 years ago
3
mnt: plot bandstructure for both spin indices only if specified
#87
sofiasanz
closed
3 years ago
1
WIP: DM as central quantity?
#86
tfrederiksen
closed
3 years ago
18
Problem using the hubbard sp2-function
#85
mlorenznano
closed
3 years ago
2
mnt: fixed some incompatibilities with assigning new U values
#84
zerothi
closed
3 years ago
1
Generalize `HubbardHamiltonian` class to have intra- and inter-atomic interactions
#83
sofiasanz
closed
2 years ago
15
Allow to read density without matching hash
#82
sofiasanz
closed
2 years ago
5
Values for spin-polarization and how to get E_gap
#81
mlorenznano
closed
3 years ago
9
Rename variable `dm` for `occ` (occupations)
#80
sofiasanz
closed
3 years ago
11
Replacing single-atoms
#79
mlorenznano
closed
3 years ago
5
Return midgap instead of saving the value in the object
#78
sofiasanz
closed
3 years ago
9
mnt: fixed sisl dependency
#77
zerothi
closed
3 years ago
3
sisl.widebandSE error
#76
leonardedens
closed
3 years ago
11
Added comments
#75
zerothi
closed
3 years ago
9
remove Hubbard.geometry altogether
#74
tfrederiksen
closed
3 years ago
1
removed zgnr and agnr functions from the hubbard package as they are already in sisl
#73
sofiasanz
closed
3 years ago
4
Rename
#72
sofiasanz
closed
3 years ago
0
WIP: Tutorials
#71
tfrederiksen
closed
3 years ago
20
enh: trying to make plots more customizable
#70
zerothi
closed
3 years ago
2
Use of matplotlib for the Hubbard.plot
#69
fran96r
opened
3 years ago
2
Introduce Slater-Koster parametrization for the pz-Hamiltonian
#68
tfrederiksen
opened
3 years ago
0
Generalize methodology to heteroatom and/or multiorbital geometries
#67
tfrederiksen
closed
2 years ago
11
WIP pytest
#66
tfrederiksen
closed
3 years ago
4
Error message when trying to install Hubbard package on Windows
#65
JeremyHieulleCode
closed
3 years ago
2
enh: enabled SelfEnergy as direct input
#64
zerothi
closed
4 years ago
29
More general bandstructure plots
#63
sofiasanz
closed
4 years ago
2
Incorporation of the wide band limit approximation (WBL)
#62
sofiasanz
closed
4 years ago
7
Small fix
#61
zerothi
closed
4 years ago
1
maint: sisl moved all geom -> geometry
#60
zerothi
closed
4 years ago
0
enh: changed NEGF to only use 1 q
#59
zerothi
closed
4 years ago
0
Open system contours
#58
zerothi
opened
4 years ago
4
Remove py2 support
#57
tfrederiksen
closed
4 years ago
0
Export spin configuration to fdf-format
#56
tfrederiksen
closed
4 years ago
0
Initializing random_density
#55
zerothi
opened
4 years ago
5
Molecule on a substrate and interacition with an STM tip
#54
sofiasanz
closed
4 years ago
6
enh: enabled usage of pulay mixing from sisl
#53
zerothi
closed
4 years ago
4
Complete active space SCF
#52
sofiasanz
opened
4 years ago
0
Open the repository for external users
#51
zerothi
closed
3 years ago
9
MPI/OpenMPI Parallelization
#50
sofiasanz
opened
4 years ago
0
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