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I plan to implement the advanced dispersion correction methods either the interfaces or the methods itself into ABACUS, including
DFT-D4
VV10 and its revised
vdw-DF
because there are increasing demand on these methods from user, who expect to get high-quality training datasets for their machine-learning models, or solving some precision issues in adsorption calculation, when the weak-interaction may dominant.
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I plan to implement the advanced dispersion correction methods either the interfaces or the methods itself into ABACUS, including
because there are increasing demand on these methods from user, who expect to get high-quality training datasets for their machine-learning models, or solving some precision issues in adsorption calculation, when the weak-interaction may dominant.
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