Author:
Ahnert Sebastian E.,Grant William P.,Pickard Chris J.
Publisher
Springer Science and Business Media LLC
Subject
Computer Science Applications,Mechanics of Materials,General Materials Science,Modeling and Simulation
Reference63 articles.
1. Car, R. & Parrinello, M. Unified approach for molecular dynamics and density-functional theory. Phys. Rev. Lett. 55, 2471 (1985).
2. Payne, M. C., Teter, M. P., Allan, D. C., Arias, T. & Joannopoulos, J. Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients. Rev. Mod. Phys. 64, 1045 (1992).
3. Clark, S. J. et al. First principles methods using castep. Zeitschrift für Kristallographie-Crystalline. Materials 220, 567–570 (2005).
4. Giannozzi, P. et al. Quantum espresso: a modular and open-source software project for quantum simulations of materials. J. Phys.: Condens. Matter 21, 395502 (2009).
5. Kresse, G. & Furthmüller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 54, 11169 (1996).
Cited by
19 articles.
订阅此论文施引文献
订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献