gpaw/mixer.py at master · qsnake/gpaw · GitHub
Self-Consistency in Density Functional Theory
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
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
DFT in practice
![PDF] On the Nature of Self-Consistency in Density Functional Theory | Semantic Scholar](https://d3i71xaburhd42.cloudfront.net/0f34ecbefd1ce69833dfd963306306b3658c451a/70-Figure4.10-1.png "PDF] On the Nature of Self-Consistency in Density Functional Theory | Semantic Scholar")
PDF] On the Nature of Self-Consistency in Density Functional Theory | Semantic Scholar
Periodic Pulay method for robust and efficient convergence acceleration of self-consistent field iterations
The self-consistent-field cycle — Siesta Documentation
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
Making Electronic Structure Theory work Outline
PDF) Predictive Mixing for Density Functional Theory (and other Fixed-Point Problems)
Periodic Pulay method for robust and efficient convergence acceleration of self-consistent field iterations - ScienceDirect
dCSE Project on Adding Spin Polarisation and van der Waals Energy Correction to Conquest
Making Electronic Structure Theory work Outline
Robust acceleration of self consistent field calculations for density functional theory: The Journal of Chemical Physics: Vol 134, No 13
Density Mixing — GPAW
DIIS - Wikipedia
![PDF] Robust mixing for ab initio quantum mechanical calculations | Semantic Scholar](https://d3i71xaburhd42.cloudfront.net/2f8d88ab1fe7d6f1ea7b1449bcb265df0602ee41/6-Figure1-1.png "PDF] Robust mixing for ab initio quantum mechanical calculations | Semantic Scholar")
PDF] Robust mixing for ab initio quantum mechanical calculations | Semantic Scholar
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 – arXiv Vanity
Test Results
