The finite element method is a promising method for electronic structure calculations.In this paper,a new parallelmesh refinementmethod for electronic structure calculations is presented.Some properties of the method ...The finite element method is a promising method for electronic structure calculations.In this paper,a new parallelmesh refinementmethod for electronic structure calculations is presented.Some properties of the method are investigated to make itmore efficient andmore convenient for implementation.Several practical issues such as distributed memory parallel computation,less tetrahedra prototypes,and the assignment of the mesh elements carried out independently in each sub-domain will be discussed.The numerical experiments on the periodic system,cluster and nano-tube are presented to demonstrate the effectiveness of the proposed method.展开更多
基金This work is partially supported by NSF of China,the National Basic Research Program of China,MOE and Shanghai basic research project.
文摘The finite element method is a promising method for electronic structure calculations.In this paper,a new parallelmesh refinementmethod for electronic structure calculations is presented.Some properties of the method are investigated to make itmore efficient andmore convenient for implementation.Several practical issues such as distributed memory parallel computation,less tetrahedra prototypes,and the assignment of the mesh elements carried out independently in each sub-domain will be discussed.The numerical experiments on the periodic system,cluster and nano-tube are presented to demonstrate the effectiveness of the proposed method.
