On "the complete basis set limit" and plane-wave methods in first-principles simulations of water
classification
❄️ cond-mat.stat-mech
cond-mat.soft
keywords
plane-wavebasismethodssimulationswatercompleteconfirmingconverged
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Water structure, measured by the height of the first peak in oxygen-oxygen radial distributions, is converged with respect to plane-wave basis energy cutoffs for ab initio molecular dynamics simulations, confirming the reliability of plane-wave methods.
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