To-Do List

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Contents

1 Active
- 1.1 Silicon Nanomembrane Transition Project
  - 1.1.1 Figures To Make
  - 1.1.2 Structures To Optimize

Active

Silicon Nanomembrane Transition Project

Figures To Make

KS bands/DOS (all layers; diamond & β-tin; PBE & SCAN)
- Center at Fermi energy, window +/- 5 eV
PDFs (all layers; diamond & β-tin; PBE & SCAN)
- r = [1.5 - 6.0 Å]
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)

Structures To Optimize

1-ML diamond (PBEsol)
- Try build-in of q₉ again
- Re-make step 0 PDF in same format as steps 1 and 2 PDFs

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