Restarted Pulay mixing for efficient and robust acceleration of fixed-point iterations - ScienceDirect
Test Results
Restarted Pulay mixing for efficient and robust acceleration of fixed-point iterations - ScienceDirect
Robust acceleration of self consistent field calculations for density functional theory: The Journal of Chemical Physics: Vol 134, No 13
Phanish Suryanarayana's Research Group - Georgia Tech
Phanish Suryanarayana's Research Group - Georgia Tech
Robust mixing in self-consistent linearized augmented planewave calculations - IOPscience
Improvement of initial guess via grid‐cutting for efficient grid‐based density functional calculations - Lim - 2016 - International Journal of Quantum Chemistry - Wiley Online Library
Pulay forces from localized orbitals optimized in situ using a psinc basis set: The Journal of Chemical Physics: Vol 136, No 23
Test Results
Periodic Pulay method for robust and efficient convergence acceleration of self-consistent field iterations - ScienceDirect
The University of Cambridge On the Nature of Self-Consistency in Density Functional Theory | Semantic Scholar
Restarted Pulay mixing for efficient and robust acceleration of fixed-point iterations - ScienceDirect
SUMMER SCHOOL ON COMPUTATIONAL MATERIALS SCIENCE University of
Comparing two iteration algorithms of Broyden electron density mixing through an atomic electronic structure computation
As the initial KS DFT densities are deformed away from the true ground... | Download Scientific Diagram
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![PDF] Robust mixing in self-consistent linearized augmented planewave calculations | Semantic Scholar](https://d3i71xaburhd42.cloudfront.net/d66afceb416a3aebd16595964ad1a31104fd77fd/12-Figure5-1.png "PDF] Robust mixing in self-consistent linearized augmented planewave calculations | Semantic Scholar")
PDF] Robust mixing in self-consistent linearized augmented planewave calculations | Semantic Scholar
Robust mixing in self-consistent linearized augmented planewave calculations - IOPscience
Robust mixing in self-consistent linearized augmented planewave calculations - IOPscience
The University of Cambridge On the Nature of Self-Consistency in Density Functional Theory | Semantic Scholar
Pulay forces from localized orbitals optimized in situ using a psinc basis set: The Journal of Chemical Physics: Vol 136, No 23
General
PDF) Pulay forces from localized orbitals optimized in situ using a psinc basis set
