Free electron band structure #321
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…associated theory notebook.
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dou-du
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May 21, 2024
* relax dependencies: latest nb, jupyterlab * brillouin_zone nb: new widget; cleanup * free electron nb: use widget-bandsplot; rm unused code * requirements.txt: pin versions to pip freeze * fix the pseudopotential bugs * Fixed matplotlib errors in one quantum well notebook. * Fixed matplotlib errors in two quantum wells notebook. * Fixed matplotlib issues in asymmetric well. * Fixed matplotlib errors in shooting method notebook. Resolved issue with using nested boxes in voila for displaying widgets side-by-side by using AppLayout instead. * Merging updates made to FFT and planewaves from earlier and bundling together with PRs fixing matplotlib errors. Mostly changes to text. * Free electron band structure (#321) * Some modifications to the text of the free electron notebook and its associated theory notebook. * Added warning that figure may take some time to load when changing lattice type. * Further modifications to text. Brought layout into standard format. * Fixing the question number 3 and the lattice parameter of the SC lattice --------- Co-authored-by: Taylor <[email protected]> Co-authored-by: Kristjan Eimre <[email protected]> * Added missing fix to the shooting method notebook which allows proper rendering of all widgets in voila. * Merging changes from the dos branch (reworked the layout of the dos notebook to show bandstructure instead of k-point mesh, allowed for variation of G-vectors, modified questions, etc). * Merged msoft_review branch with improved functionality (otf plotting of PES surfaces etc). * Merged updated BZ theory notebook from BZ_review branch. * fix the bug of the voila with AppLayout (#331) Co-authored-by: Dou Du <[email protected]> * fix the warning info bug (#332) Co-authored-by: Dou Du <[email protected]> * Workaround for issue in which play box doesn't appear in Voila. Set arrows to default. Reverted to gamma point (could change in future). Fixed links to source code. * Made default selected k-point in 2d phonon notebook more illuminating, added arrows by default, added background theory sections to all notebooks, fixed links. * add sleep 3s * update the test figure * sleep 3s * update the workflow for PR to the matcloud.xyz * Manually labeled equations in lattice vibration theory notebooks. * Merged textual changes from mol vibration branch. Also fixed some formatting issues still present in mol vibration notebook. * Merged textual changes from phonon1d branch. Set default k-point away from gamma in a way that works with workaround for voila. Made arrows a bit smaller. * Switched to the classic tree page --------- Co-authored-by: Dou Du <[email protected]> Co-authored-by: Taylor <[email protected]> Co-authored-by: Giovanni Pizzi <[email protected]> Co-authored-by: Taylor-96 <[email protected]> Co-authored-by: Dou Du <[email protected]> Co-authored-by: Dou Du <[email protected]>
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