Preconditioning Orbital Minimization Method for Planewave Discretization
نویسندگان
چکیده
منابع مشابه
Preconditioning Orbital Minimization Method for Planewave Discretization
We present an efficient preconditioner for the orbital minimization method when the Hamiltonian is discretized using planewaves (i.e., pseudospectral method). This novel preconditioner is based on an approximate Fermi operator projection by pole expansion, combined with the sparsifying preconditioner to efficiently evaluate the pole expansion for a wide range of Hamiltonian operators. Numerical...
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ژورنال
عنوان ژورنال: Multiscale Modeling & Simulation
سال: 2017
ISSN: 1540-3459,1540-3467
DOI: 10.1137/16m1068670