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Pseudo Absolute
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Classroom Contents
Hands-on: DFT in Practice - Advanced Quantum ESPRESSO Tutorial - Lecture 2
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- 1 Introduction
- 2 Overview
- 3 Connection mapping
- 4 Local density approximation
- 5 Connection equation
- 6 Pseudopotential
- 7 Pseudo Absolute
- 8 PBE band structure
- 9 Cutoff energy
- 10 Band Gap
- 11 Brilliant Zone
- 12 Quantum Desktop
- 13 SFF calculation
- 14 Parallelization
- 15 Absolute potential
- 16 Symmetry operation
- 17 Output file
- 18 Advanced calculation
- 19 Simulation
- 20 Keypoints
- 21 Postprocessing
- 22 Plotting
- 23 Outcome
- 24 Results
- 25 Bandgap
- 26 Hybrid
- 27 Range separation
- 28 Plane waves
- 29 Input file
- 30 PB0 functional
- 31 converging
- 32 calculation
- 33 Prefix
- 34 Selfconsistency
- 35 Nest Loop
