Difference between revisions of "Iridium"
From William Parker Wiki
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==Pseudopotentials== | ==Pseudopotentials== | ||
* PBEsol SSSP efficiency [https://www.materialscloud.org/discover/sssp/table/efficiency] | * PBEsol SSSP efficiency [https://www.materialscloud.org/discover/sssp/table/efficiency] | ||
| + | |||
| + | ==Convergence Tests== | ||
| + | ===Planewave Energy Cutoff=== | ||
| + | [[File:Ir.Fm-3m.PBEsol.ecutwfc_totalenergy.png]] | ||
==Next step== | ==Next step== | ||
| − | * | + | * Test k-point convergence |
Revision as of 11:05, 21 October 2022
Contents
Crystal structures
- Fm3̅m [1]
Pseudopotentials
- PBEsol SSSP efficiency [2]
Convergence Tests
Planewave Energy Cutoff
Next step
- Test k-point convergence
