Accelerating Finite-temperature Kohn-Sham Density Functional Theory with Deep...

Output from electronic structure code (Quantum Espresso) that serves as training data for the machine-learning workflow of the related scientific publication...本数据集作为相关学术论文机器学习工作流的训练数据，来源于电子结构计算程序（electronic structure code）Quantum Espresso的输出结果……