ECE 595E Lecture 24: Electronic Bandstructure Simulation Tools

By Peter Bermel

Electrical and Computer Engineering, Purdue University, West Lafayette, IN

Published on

Abstract

Outline:

  • Electronic bandstructure lab
    • Basic Principles
    • Input Interface
    • Exemplary Outputs
  • Density functional theory (DFT)
  • DFT in Quantum ESPRESSO

Cite this work

Researchers should cite this work as follows:

  • Peter Bermel (2013), "ECE 595E Lecture 24: Electronic Bandstructure Simulation Tools," http://nanohub.org/resources/17307.

    BibTex | EndNote

Time

Location

EE 226, Purdue University, West Lafayette, IN

Tags

ECE 595E Lecture 24: Electronic Bandstructure Simulation Tools
  • Lecture 24: Electronic Bandstructure Simulation Tools 1. Lecture 24: Electronic Bandstr… 0
    00:00/00:00
  • Recap from Monday 2. Recap from Monday 26.526526526526528
    00:00/00:00
  • Outline 3. Outline 167.1338004671338
    00:00/00:00
  • Bandstructure Lab 4. Bandstructure Lab 214.54788121454789
    00:00/00:00
  • Bandstructure Lab 5. Bandstructure Lab 329.66299632966303
    00:00/00:00
  • Bandstructure Lab: Input 6. Bandstructure Lab: Input 447.94794794794797
    00:00/00:00
  • Bandstructure Lab: Input 7. Bandstructure Lab: Input 1313.5802469135804
    00:00/00:00
  • Bandstructure Lab: Output 8. Bandstructure Lab: Output 1321.0210210210212
    00:00/00:00
  • Electronic Bandstructure Lab: 9. Electronic Bandstructure Lab: 1325.2585919252585
    00:00/00:00
  • Bandstructure Lab: Output 10. Bandstructure Lab: Output 1328.661995328662
    00:00/00:00
  • Density Functional Theory 11. Density Functional Theory 1352.0186853520188
    00:00/00:00
  • Density Functional Theory 12. Density Functional Theory 1514.8815482148816
    00:00/00:00
  • Density Functional Theory 13. Density Functional Theory 1729.2625959292627
    00:00/00:00
  • Quantum ESPRESSO: Input 14. Quantum ESPRESSO: Input 1982.2155488822157
    00:00/00:00
  • Quantum ESPRESSO: Output 15. Quantum ESPRESSO: Output 2155.121788455122
    00:00/00:00
  • Quantum ESPRESSO: Output 16. Quantum ESPRESSO: Output 2247.0136803470136
    00:00/00:00
  • Next Class 17. Next Class 2465.2986319652987
    00:00/00:00