Difference between revisions of "To-Do List"
From William Parker Wiki
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* PDFs (all layers; diamond & β-tin; PBE & SCAN) | * PDFs (all layers; diamond & β-tin; PBE & SCAN) | ||
** r = [1.5 - 6.0 Å] | ** r = [1.5 - 6.0 Å] | ||
** Fully saturated color (blue/red) for bulk; grayish color for 1-ML increasing in saturation with N_ML | ** Fully saturated color (blue/red) for bulk; grayish color for 1-ML increasing in saturation with N_ML | ||
** Solid curve for bulk; shortest dashes for 1-ML increasing in length with N_ML | ** Solid curve for bulk; shortest dashes for 1-ML increasing in length with N_ML | ||
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=====On Hold===== | =====On Hold===== | ||
* ln(a) vs ln(c) [Poisson ratio] (all layers; diamond & β-tin; PBE & SCAN) | * ln(a) vs ln(c) [Poisson ratio] (all layers; diamond & β-tin; PBE & SCAN) | ||
Revision as of 11:32, 10 July 2024
Contents
Active
Silicon Nanomembrane Transition Project
- Organize figures on a wiki page
- Revise language according to notes in Latex file
- Generate and plot charge density
Figures To Make
- PDFs (all layers; diamond & β-tin; PBE & SCAN)
- r = [1.5 - 6.0 Å]
- Fully saturated color (blue/red) for bulk; grayish color for 1-ML increasing in saturation with N_ML
- Solid curve for bulk; shortest dashes for 1-ML increasing in length with N_ML
On Hold
- ln(a) vs ln(c) [Poisson ratio] (all layers; diamond & β-tin; PBE & SCAN)
- Reduced volume vs pressure (all layers; diamond & β-tin; PBE & SCAN)
- Enthalpy vs volume (all layers; diamond & β-tin; PBE & SCAN)
- Charge density (bulk & 1 ML, 5 ML; PBE & SCAN) how-to
- Projected density of states from (bulk & 1 ML, 5 ML; PBE & SCAN) how-to
Structures To Optimize
- 1-ML diamond (PBEsol)
- Waiting on phonon dispersion
Conductivity
- Make the plot of the electrical and thermal conductivities using the atomic number as the scatter symbol and experimenting with color schemes
Computer Cluster
- Install Intel Compiler Suite 2019 on hyades08
- Update Debian from 8 to 9 on hyades08
- Implement Ansible scripts for management
Complete
Silicon Nanomembrane Transition Project
Figures
- KS bands/DOS (all layers; diamond & β-tin; PBE & SCAN) [Centered at Fermi energy, window +/- 5 eV]
