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  • Introduction
  • Installation
  • Getting started
  • Tutorials
    • 1. Bulk Si basics
      • 1.1. Self-consistent calculation
      • 1.2. Read results
      • 1.3. Density of states calculation
      • 1.4. Plot results
      • 1.5. Band structure calculation
      • 1.6. Atomic orbital calculation
      • 1.7. Structural relaxation
    • 2. Graphene PDOS
    • 3. Equation of states tutorial
    • 4. Chemical potential tutorial
    • 5. Valence band maximum tutorial
    • 6. Dielectric constant tutorial
    • 7. Diamond vacancy defect tutorial
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  • 1. Bulk Si basics

1. Bulk Si basics

In this tutorial, you’ll learn how to perform basic DFT calculations on bulk silicon.

  • 1.1. Self-consistent calculation
  • 1.2. Read results
  • 1.3. Density of states calculation
  • 1.4. Plot results
  • 1.5. Band structure calculation
  • 1.6. Atomic orbital calculation
  • 1.7. Structural relaxation
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