2012 Practice

Practice #1

Tutorial for pseudopotetial generation.

Practice #2

Cutoff, k-points, lattice constant vs. Energy

Practive #3

How to make DOS, band structure and wave function using pwscf.

Practice #4

Making the supercell and supercell with defects.

Calculating the defect formation energy.

Practice #5

Spin-polarized calculation of oxygen molecule and bcc iron.