Solving the Kohn-Sham Eigenproblem Within A Common Library Approach to Software Development in Elect

来源 :第八届工业与应用数学国际大会 | 被引量 : 0次 | 上传用户:jinnanwc2
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  The Electronic Structure Library(ESL)is a new initiative to create an online repository of software for use within electronic structure codes.One of the aims of the ESL is to give members of the community access to a diverse range of Kohn-Sham eigensolvers,in the form of fully functioning libraries.We focus on the libOMM library implementing the orbital minimization method,and discuss its efficiency for codes using a basis of finite-range atomic orbitals.
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