Develop essential physical sciences skills with expert instruction and practical examples.
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.
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