Difference between revisions of "Projects"
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| − | + | =Platinum-Iridium-Titanium= | |
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| + | {|border="1" | ||
| + | |- | ||
| + | ! rowspan="2" | Element | ||
| + | ! colspan="4" | Convergence Parameters | ||
| + | ! rowspan="2" | Relaxed Lattice Parameter | ||
| + | ! rowspan="2" | ''E''-''V'' Equation of State | ||
| + | ! rowspan="2" | Phonon Bands | ||
| + | |- | ||
| + | ! ''E''<sub>cut, ''ψ''</sub> (Ry) | ||
| + | ! ''E''<sub>cut, ''ρ''</sub> (Ry) | ||
| + | ! ''σ'' (Ry) | ||
| + | ! ''N''<sub>'''k''', ''i''</sub> | ||
| + | |- | ||
| + | | [[Platinum | Pt]] | ||
| + | | 90 | ||
| + | | Set up | ||
| + | | | ||
| + | | | ||
| + | | | ||
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| + | | | ||
| + | |- | ||
| + | | [[Iridium | Ir]] | ||
| + | | 130 | ||
| + | | Set up | ||
| + | | | ||
| + | | | ||
| + | | | ||
| + | | | ||
| + | | | ||
| + | |- | ||
| + | | [[Titanium | Ti]] | ||
| + | | Set up | ||
| + | | | ||
| + | | | ||
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|} | |} | ||
Revision as of 15:48, 17 November 2022
Platinum-Iridium-Titanium
| Element | Convergence Parameters | Relaxed Lattice Parameter | E-V Equation of State | Phonon Bands | |||
|---|---|---|---|---|---|---|---|
| Ecut, ψ (Ry) | Ecut, ρ (Ry) | σ (Ry) | Nk, i | ||||
| Pt | 90 | Set up | |||||
| Ir | 130 | Set up | |||||
| Ti | Set up | ||||||
