2012 2012 Practice

2014.03.19 21:21

관리자 Views:12777

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.

No. Subject Author Date Views
» 2012 Practice file 관리자 2014.03.19 12777