基于密度泛函微扰理论(DFPT)结合模守恒赝势方法进行晶格动力学模拟。

Based on density functional perturbation theory (DFPT) and combined with the norm-conserving pseudopotential method, the lattice dynamic simulation is presented.

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基于密度泛函微扰理论(DFPT)结合模守恒赝势方法进行晶格动力学模拟。

Based on density functional perturbation theory (DFPT) and combined with the norm-conserving pseudopotential method, the lattice dynamic simulation is presented.

youdao