deepmodeling / deepmodeling/deepks-kit

DeePKS Variable component problem

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Description

We want to use DeePKS to do a SiGe variable-component work. We hope to train a band result that can generalize and infer various variable-component configurations with the limited data of two different component configurations of elements. We wonder if DeePKS has such generalization ability or if any related research on variable-component materials has been conducted with DeePKS?

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