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| Name | Last modified | Size | Description |
|---|---|---|---|---|
| Parent Directory | - | ||
| free_electron_band.py | 2020-06-11 09:00 | 9.9K | |
| DVXa.pdf | 2023-10-23 17:08 | 695K | |
| STO.pdf | 2023-10-23 17:08 | 402K | |
| STO.xls | 2023-10-23 17:08 | 28K | |
| 3d.plt | 2023-10-24 13:47 | 1.6K | |
| CalR.pl | 2023-10-24 13:47 | 2.3K | |
| CalSTO.pl | 2023-10-24 13:47 | 1.8K | |
| CalcDVAtom.pl | 2023-10-24 13:47 | 40K | |
| ConvertHKL.pl | 2023-10-24 13:47 | 2.2K | |
| ConvertKPOINTS.pl | 2023-10-24 13:47 | 3.3K | |
| HS-Object.pl | 2023-10-24 13:47 | 4.4K | |
| HSForwardReverse.csv | 2023-10-24 13:47 | 419K | |
| HydrogenOrbitals.plt | 2023-10-24 13:47 | 1.3K | |
| SlaterRadius.txt | 2023-10-24 13:47 | 1.2K | |
| SphericalHarmonicsBy..> | 2023-10-24 13:47 | 90K | |
| TF-Object.pl | 2023-10-24 13:47 | 1.8K | |
| TFReverse.csv | 2023-10-24 13:47 | 147K | |
| WaveFunction.pl | 2023-10-24 13:47 | 18K | |
| cal_STO.py | 2023-12-08 10:01 | 5.6K | |
| potential_defect.xlsx | 2024-05-10 16:41 | 29K | |
| CASTEP/ | 2025-05-25 01:40 | - | |
| DiagonalizeCAB/ | 2025-05-25 01:40 | - | |
| FermiSurface/ | 2025-05-25 01:40 | - | |
| FreeElectronBand/ | 2025-05-25 01:40 | - | |
| GAMESS/ | 2025-05-25 01:40 | - | |
| Gaussian03/ | 2025-05-25 01:40 | - | |
| KPOINTS/ | 2025-05-25 01:40 | - | |
| MOPAC7/ | 2025-05-25 01:40 | - | |
| NearlyFreeElectronBand/ | 2025-05-25 01:40 | - | |
| TightBinding/ | 2025-05-25 01:40 | - | |
| WIEN2k/ | 2025-05-25 01:40 | - | |
| YAeHMOP/ | 2025-05-25 01:40 | - | |
| ZMatrix/ | 2025-05-25 01:40 | - | |
| tkWavefunction_H.py | 2025-08-15 06:52 | 6.9K | |
| Sij_mc.py | 2025-12-07 14:43 | 1.0K | |
| ei_mc.py | 2025-12-07 14:53 | 715 | |
| eh.py | 2025-12-07 14:55 | 5.0K | |
| draw_band_fs.py | 2025-12-20 10:50 | 34K | |
| tight_binding1d.py | 2026-01-16 16:47 | 3.4K | |
| huckel1d.py | 2026-01-16 16:51 | 3.5K | |
| tb_harrison.py | 2026-01-23 15:42 | 10K | |
| analyze_symmetry-V1.py | 2026-01-23 17:53 | 26K | |
| structure.json | 2026-01-24 09:11 | 544 | |
| tkpg/ | 2026-01-24 09:18 | - | |
| sym.txt | 2026-01-24 10:49 | 528 | |
| analyze_symmetry_k.py | 2026-01-24 10:52 | 9.9K | |
| analyze_symmetry.py | 2026-01-24 11:07 | 6.8K | |
| analyze_symmetry_k_c..> | 2026-01-24 11:16 | 11K | |
| structure_k.json | 2026-01-28 19:05 | 608 | |
| 3DQD.md | 2026-03-16 16:52 | 5.2K | |
| analyze_symmetry-V1.md | 2026-03-16 16:52 | 7.9K | |
| analyze_symmetry.md | 2026-03-16 16:52 | 6.8K | |
| analyze_symmetry_k.md | 2026-03-16 16:53 | 8.4K | |
| plot_wf.md | 2026-03-16 16:54 | 10K | |
| tb_harrison.md | 2026-03-16 16:54 | 4.6K | |
| schrodinger1d.py | 2026-03-20 10:56 | 10K | |
| refineE_schrodinger1..> | 2026-03-20 11:07 | 10K | |
| kronig_penney.py | 2026-03-30 05:27 | 30K | |
| pw1d.py | 2026-03-30 05:27 | 35K | |
| tb1d.py | 2026-03-30 05:29 | 81K | |
| H_like_wf.py | 2026-04-07 10:16 | 21K | |
| plot_wf.py | 2026-04-10 11:43 | 58K | |
| QE/ | 2026-04-21 09:13 | - | |
| 3DQD.py | 2026-05-07 10:51 | 13K | |
| H1s-HF-LDA.py | 2026-05-07 11:13 | 46K | |
| transfer_matrix.py | 2026-05-07 12:35 | 25K | |
| potential.xlsx | 2026-05-07 12:35 | 13K | |
| transmission.xlsx | 2026-05-07 12:35 | 5.3K | |
| __pycache__/ | 2026-05-07 14:26 | - | |
| refineE.csv | 2026-05-07 14:26 | 214 | |
| schrodinger.xlsx | 2026-05-07 14:29 | 82K | |
| wavefunction2D.py | 2026-05-07 14:35 | 33K | |