Symmetry-general least-squares extraction of elastic coefficients from ab initio total energy calculations

By Y. Page, P. Saxe. 2001

259 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/191c929af0568f539c10920ba8b7bbc7eff3d644

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. Vei Wang
2. Gang Tang
3. Wen-Tong Geng
4. N. Xu
5. Jin Cheng Liu

In Materials Chemistry

1. Vei Wang
2. Gang Tang
3. Wen-Tong Geng
4. N. Xu
5. Jin Cheng Liu

Citations in the corpus

• VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code (2019, methodology): “In the energy-strain method the elastic stiffness tensor is derived from the second-order derivative of the total energy versus strain curves [43].”