Quantum Espresso Software Training
What you'll learn
- How to calculate self-consistent field calculation?
- How to solve Schrodinger equation by quantum espresso?
- How to calculate bandstructure and projected bandstructure?
- How to calculate and plot charge density and wave function?
- How to find optimized lattice vectors by using variable cell relaxation?
- How to install quantum espresso on ubuntu and windows?
- How to evaluate the stability of lattice by using phonon calculation?
- You need a computer.
- You need an internet connection to download.
In this course, the quantum espresso software is fully taught, and its various calculations are discussed. Calculations such as self consistent field (SCF), density of states (DOS), Band-structure and projected band, charge density and wave functions, phonon, etc. We also learn how to find the optimized lattice vectors and atomic coordinates by using variable cell relaxation (vc-relax), and ionic relaxation.
In this course, we tried to explain all the details of this software. Even the installation methods are fully explained. To obtain a deeper understanding of these calculations, various examples are given on different lattices such as graphene and silicon. The method of each calculation is taught using flowchart and all variables are examined. This course is not just a software tutorial. Indeed, in each lecture, the physical basis of these calculations is explained such as lattice structure, pseudopotentials, reciprocal lattice, etc.
At the end of this course, you will have a complete understanding on quantum espresso calculations. Also, you can extract the electronic and physical properties of materials. This course is useful for quantum physics students, materials specialists, nano and micro electronic engineers, semiconductor companies, etc. You may use it for your studies, paper, thesis, and every day to day jobs.
Who this course is for:
- Nano-electronic engineers
- Material scientists
- Quantum physics students
Ashkan Horri is an associate professor in electronic engineering. His Research focuses on semiconductor device simulation especially at nano scale dimensions. He is also professional in circuit design, analog to digital converters, VLSI, quantum electronics, and matlab coding. He have more than twenty academic paper published in high ranking journals.