Ming L. Yu
Physical Review B
We adopted the method of direct inversion in the iterative subspace (DIIS) to plane-wave-based electronic structure calculations. We show that with simple modifications based on the idea of preconditioning, the DIIS method is very efficient and robust. A discussion of the merits of the new method relative to other approaches is also given. © 1994.
Ming L. Yu
Physical Review B
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