Last update : 3/18/2008
My research interest is impurity and defects in wide-bandgap semiconductors. I pay attention on semiconductor alloys and phase transformation (2) optical properties of magnetic semiconductor system. We use first principles calculation based on linear muffin-tin orbiral method (LMTO) with both atomic sphere approximation (ASA) and full-potential (FP).

VASP
LMTO
ABINIT
PWSCF

1. Lesson 1 - How to get total energy
2. Lesson 2 - How to get dos and band structure
3. Lesson 3 - How to find reference energy in ctrl.