Elastic constants of polycrystalline Al and TiN calculated by an ab initio method within the local-density approximation

Zhang, M. / Shen, J. / He, J. | British Library Online Contents | 2001

New methods for prediction of elastic constants based on density functional theory combined with machine learning

Wang, Juan / Yang, Xiaoyu / Zeng, Zhi et al. | British Library Online Contents | 2017

Calculation of complex band structure for plane-wave nonlocal pseudopotential Hamiltonian

Vergniory, M. G. / Yang, C. / Garcia-Lekue, A. et al. | British Library Online Contents | 2010

Separable Pseudopotential beyond the Kleinman-Bylander Approximation

Saito, M. / Sugino, O. / Oshiyama, A. | British Library Conference Proceedings | 1993

The high-pressure phase transitions and vibrational properties of zinc-blende XTe (X=Zn, Cd, Hg): Performance of local-density-approximation density functional theory

Tan, J. / Ji, G. / Chen, X. et al. | British Library Online Contents | 2010