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Important Matters
Important Matters
2:05 PM
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Q: How does the electronic iteration work in VASP relaxation calculation？a change in electron density n？

KevinI am a beginner using VASP to do material modeling，and I'm confused about the following questions： How does the electronic iteration work in VASP relaxation calculation? Is electronic iteration in structure optimization and static self-consistent the same? If they are the same，it seems that the...

density-functional-theory vasp geometry-optimization density-of-states self-consistent-field
 

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