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PDF) Predictive Mixing for Density Functional Theory (and other Fixed-Point Problems)
PDF) Predictive Mixing for Density Functional Theory (and other Fixed-Point Problems)

Self-Consistency in Density Functional Theory
Self-Consistency in Density Functional Theory

Restarted Pulay mixing for efficient and robust acceleration of fixed-point iterations - ScienceDirect
Restarted Pulay mixing for efficient and robust acceleration of fixed-point iterations - ScienceDirect

Periodic Pulay method for robust and efficient convergence acceleration of self-consistent field iterations – arXiv Vanity
Periodic Pulay method for robust and efficient convergence acceleration of self-consistent field iterations – arXiv Vanity

DIIS - Wikipedia
DIIS - Wikipedia

Density Mixing — GPAW
Density Mixing — GPAW

Robust acceleration of self consistent field calculations for density functional theory: The Journal of Chemical Physics: Vol 134, No 13
Robust acceleration of self consistent field calculations for density functional theory: The Journal of Chemical Physics: Vol 134, No 13

Restarted Pulay mixing for efficient and robust acceleration of fixed-point iterations - ScienceDirect
Restarted Pulay mixing for efficient and robust acceleration of fixed-point iterations - ScienceDirect

Restarted Pulay mixing for efficient and robust acceleration of fixed-point iterations - ScienceDirect
Restarted Pulay mixing for efficient and robust acceleration of fixed-point iterations - ScienceDirect

Periodic Pulay method for robust and efficient convergence acceleration of self-consistent field iterations – arXiv Vanity
Periodic Pulay method for robust and efficient convergence acceleration of self-consistent field iterations – arXiv Vanity

gpaw/mixer.py at master · qsnake/gpaw · GitHub
gpaw/mixer.py at master · qsnake/gpaw · GitHub

The self-consistent-field cycle — Siesta Documentation
The self-consistent-field cycle — Siesta Documentation

Oxide Ion Mobility in V- and P-doped Bi2O3-Based Solid Electrolytes: Combining Quasielastic Neutron Scattering with Ab Initio Molecular Dynamics | Chemistry of Materials
Oxide Ion Mobility in V- and P-doped Bi2O3-Based Solid Electrolytes: Combining Quasielastic Neutron Scattering with Ab Initio Molecular Dynamics | Chemistry of Materials

PDF) Predictive Mixing for Density Functional Theory (and other Fixed-Point Problems)
PDF) Predictive Mixing for Density Functional Theory (and other Fixed-Point Problems)

Predictive Mixing for Density Functional Theory (and Other Fixed-Point Problems) | Journal of Chemical Theory and Computation
Predictive Mixing for Density Functional Theory (and Other Fixed-Point Problems) | Journal of Chemical Theory and Computation

Periodic Pulay method for robust and efficient convergence acceleration of self-consistent field iterations
Periodic Pulay method for robust and efficient convergence acceleration of self-consistent field iterations

Test Results
Test Results

Periodic Pulay method for robust and efficient convergence acceleration of self-consistent field iterations - ScienceDirect
Periodic Pulay method for robust and efficient convergence acceleration of self-consistent field iterations - ScienceDirect

Robust acceleration of self consistent field calculations for density functional theory: The Journal of Chemical Physics: Vol 134, No 13
Robust acceleration of self consistent field calculations for density functional theory: The Journal of Chemical Physics: Vol 134, No 13

PDF] Robust mixing for ab initio quantum mechanical calculations | Semantic Scholar
PDF] Robust mixing for ab initio quantum mechanical calculations | Semantic Scholar

Making Electronic Structure Theory work Outline
Making Electronic Structure Theory work Outline

Test Results
Test Results

Restarted Pulay mixing for efficient and robust acceleration of fixed-point iterations - ScienceDirect
Restarted Pulay mixing for efficient and robust acceleration of fixed-point iterations - ScienceDirect

Periodic Pulay method for robust and efficient convergence acceleration of self-consistent field iterations - ScienceDirect
Periodic Pulay method for robust and efficient convergence acceleration of self-consistent field iterations - ScienceDirect

Robust acceleration of self consistent field calculations for density functional theory: The Journal of Chemical Physics: Vol 134, No 13
Robust acceleration of self consistent field calculations for density functional theory: The Journal of Chemical Physics: Vol 134, No 13