A high-efficient strain-stress method for calculating higher-order elastic constants from first-principles

• DOI: 10.1016/j.cpc.2022.108478
• Publication Date: 2022-07-30T11:27:47Z
• Authors: Mingqing Liao; Yong Liu; Fei Zhou; Tianyi Han; Danni Yang; Nan Qu; Zhonghong Lai; Zi-Kui Liu; Jingchuan Zhu
• Keywords: 0103 physical sciences; 01 natural sciences