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Michael Nagli Density functional theory investigation of
electronic and elastic properties of Ni(OH)2.
[VASP, Python - runs on TAMNUN]
Alternate link .

2016 - 2017 CLASS - Mayavi vs AViz

  • Emphasis this year was on DFT projects (DFT standing for Density Functional Theory which is an approxiate way to solve the Schroedinger equation to calculate electronic density.) (3 VASP projects as students from a group that uses VASP, see VASP/Mayavi comparison with AViz. One QuantumEspresso from my group.)
  • Calculation and Mayavi visualization - Michael Nagli, AViz Visualization J.A.
  • Example of how education helped my research - I had been trying to combine VASP and AViz for electronic density, and this data enabled us to finally suceed!
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