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.
- Practice+%231.pptx [File Size:502.5KB/Download:518]
- Practice+%232.pptx [File Size:506.4KB/Download:976]
- Practice+%233.pptx [File Size:1.22MB/Download:627]
- Practice+%234.pptx [File Size:389.8KB/Download:1,793]
- Practice+%235.pptx [File Size:295.0KB/Download:516]
- pseudo-gen.pdf [File Size:330.7KB/Download:441]
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2012 Practice
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