User TribalChief

14 votes

1 answer

143 views

What are the physical consequences of adding a constant to the diagonal of the effective Hamiltonian of monolayer materials?

asked Jan 17, 2021 at 18:34

12 votes

1 answer

384 views

What is the best program to manipulate numerical DFT wavefunctions to calculate custom matrix elements?

asked Jan 23, 2021 at 19:47

12 votes

1 answer

308 views

How to numerically solve real-space 1D time-independent Schrodinger equation using 2D momentum-space Hamiltonian?

asked May 21, 2021 at 18:18

11 votes

1 answer

124 views

Wavefunction magnitudes being degenerate everywhere on parameter space even though energy degeneracies occur at isolated points?

asked May 13, 2021 at 0:16

11 votes

1 answer

299 views

How to use wavefunctions/density to determine which orbitals lead to edge states?

asked Jun 22, 2021 at 3:33

10 votes

1 answer

1k views

How to understand the wavefunction outputed by QE with HDF5 format?

asked Feb 2, 2021 at 22:27

9 votes

0 answers

327 views

How to interpret WannierTools Python code that generates tight-binding model in the wannier90_hr.dat format? [closed]

asked Mar 11, 2021 at 22:50

9 votes

1 answer

313 views

Help with translating Hamiltonian into matrix

asked Jun 15, 2021 at 19:08

9 votes

0 answers

65 views

What is special about valley-focused Hamiltonians that make them give quantized/rational (valley) Chern numbers? [closed]

asked Jul 2, 2021 at 20:42

8 votes

1 answer

234 views

How to numerically calculate quantum state distance using quantum metric?

asked Nov 28, 2021 at 23:06

8 votes

1 answer

131 views

Help with understanding topologically-protected edge states in domain wall systems

asked May 15, 2021 at 1:50

8 votes

0 answers

116 views

Example of a standard/archetypal/simple 4-band gapped condensed matter model with analytic results? [closed]

asked Apr 8, 2021 at 2:38

8 votes

0 answers

124 views

What are some types of topologically-relevant band degeneracies in contemporary 2D condensed matter research? [closed]

asked May 2, 2021 at 4:10

7 votes

0 answers

212 views

How to fix gauge in Quantum ESPRESSO? [closed]

asked Feb 18, 2021 at 19:07

7 votes

1 answer

275 views

Help with Definitions in Numerical Calculation of Multiband Berry Phase

asked Jun 5, 2021 at 18:44

7 votes

1 answer

330 views

How to solve time-dependent Schrodinger equation and plot trajectory on Bloch sphere?

asked Nov 26, 2021 at 23:53

6 votes

0 answers

40 views

Example of 2D k-space models allowing interband transitions after a closed-loop trajectory? [closed]

asked Jul 8, 2021 at 8:12

6 votes

1 answer

158 views

Help with definitions in k-space twisted bilayer graphene model

asked Jul 13, 2021 at 20:07

6 votes

1 answer

65 views

Confusions in interpreting Dirac strings (wormholes) in Haldane's Hilbert space picture ft. two tori joined by strings at gapless points

asked Jul 16, 2021 at 16:55

6 votes

1 answer

101 views

How to choose half-Brillouin-zone (HBZ) in Fukui & Hatsugai's numerical scheme for the Z2 invariant?

asked Jul 2, 2021 at 16:30

6 votes

1 answer

70 views

Example of a standard/archetypal/simple 4-band un-gapped condensed matter model with analytic results?

asked Apr 7, 2021 at 7:07

5 votes

0 answers

322 views

Why does numerical computation of Berry curvature give me a correct Berry phase when it is supposed to diverge? [closed]

asked Mar 9, 2021 at 17:39

5 votes

1 answer

106 views

Help with definitions of SOC and ferromagnetic exchange terms in MoS2 Hamiltonian

asked Jul 1, 2021 at 2:14

5 votes

0 answers

117 views

Z2 topological index: Is this unconventional formula summed over just filled bands, or all bands? [closed]

asked Jun 15, 2021 at 17:39

5 votes

0 answers

68 views

How to get energy eigenstates using plane wave basis wavefunction .hdf5 output from Quantum ESPRESSO? [closed]

asked Sep 21, 2021 at 19:17

5 votes

0 answers

38 views

How to calculate anisotropic exchange J $J_{xy}, J_{xz}, J_{yz}, J_{yx}, ...$ using 4-state mapping and DFT?

asked Oct 23 at 22:16

3 votes

0 answers

38 views

Original reference for gapped chiral fermion k·p model?

asked Dec 25, 2022 at 17:44

3 votes

1 answer

48 views

Does VASP include energy penalty contribution in OUTCAR energy of constrained moment calculation?

asked Oct 28 at 15:35

2 votes

0 answers

54 views

Clarifying local magnetic moment axes in VASP: cartesian vs crystal (for MAGMOM/M_CONSTR)

asked Oct 24 at 18:53

Stack Exchange Network

29 Questions

What are the physical consequences of adding a constant to the diagonal of the effective Hamiltonian of monolayer materials?

What is the best program to manipulate numerical DFT wavefunctions to calculate custom matrix elements?

How to numerically solve real-space 1D time-independent Schrodinger equation using 2D momentum-space Hamiltonian?

Wavefunction magnitudes being degenerate everywhere on parameter space even though energy degeneracies occur at isolated points?

How to use wavefunctions/density to determine which orbitals lead to edge states?

How to understand the wavefunction outputed by QE with HDF5 format?

How to interpret WannierTools Python code that generates tight-binding model in the wannier90_hr.dat format? [closed]

Help with translating Hamiltonian into matrix

What is special about valley-focused Hamiltonians that make them give quantized/rational (valley) Chern numbers? [closed]

How to numerically calculate quantum state distance using quantum metric?

Help with understanding topologically-protected edge states in domain wall systems

Example of a standard/archetypal/simple 4-band gapped condensed matter model with analytic results? [closed]

What are some types of topologically-relevant band degeneracies in contemporary 2D condensed matter research? [closed]

How to fix gauge in Quantum ESPRESSO? [closed]

Help with Definitions in Numerical Calculation of Multiband Berry Phase

How to solve time-dependent Schrodinger equation and plot trajectory on Bloch sphere?

Example of 2D k-space models allowing interband transitions after a closed-loop trajectory? [closed]

Help with definitions in k-space twisted bilayer graphene model

Confusions in interpreting Dirac strings (wormholes) in Haldane's Hilbert space picture ft. two tori joined by strings at gapless points

How to choose half-Brillouin-zone (HBZ) in Fukui & Hatsugai's numerical scheme for the Z2 invariant?

Example of a standard/archetypal/simple 4-band un-gapped condensed matter model with analytic results?

Why does numerical computation of Berry curvature give me a correct Berry phase when it is supposed to diverge? [closed]

Help with definitions of SOC and ferromagnetic exchange terms in MoS2 Hamiltonian

Z2 topological index: Is this unconventional formula summed over just filled bands, or all bands? [closed]

How to get energy eigenstates using plane wave basis wavefunction .hdf5 output from Quantum ESPRESSO? [closed]

How to calculate anisotropic exchange J $J_{xy}, J_{xz}, J_{yz}, J_{yx}, ...$ using 4-state mapping and DFT?

Original reference for gapped chiral fermion k·p model?

Does VASP include energy penalty contribution in OUTCAR energy of constrained moment calculation?

Clarifying local magnetic moment axes in VASP: cartesian vs crystal (for MAGMOM/M_CONSTR)