2012 2012 Practice
2014.03.19 21:21
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.
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» | 2012 Practice | 관리자 | 2014.03.19 | 12893 |