Robust acceleration of self consistent field calculations for density functional theory: The Journal of Chemical Physics: Vol 134, No 13
Density Mixing — GPAW
Robust acceleration of self consistent field calculations for density functional theory: The Journal of Chemical Physics: Vol 134, No 13
Periodic Pulay method for robust and efficient convergence acceleration of self-consistent field iterations – arXiv Vanity
Phanish Suryanarayana's Research Group - Georgia Tech
DIIS - Wikipedia
Test Results
dCSE Project on Adding Spin Polarisation and van der Waals Energy Correction to Conquest
Predictive Mixing for Density Functional Theory (and Other Fixed-Point Problems) | Journal of Chemical Theory and Computation
![PDF] Robust mixing for ab initio quantum mechanical calculations | Semantic Scholar](https://d3i71xaburhd42.cloudfront.net/2f8d88ab1fe7d6f1ea7b1449bcb265df0602ee41/12-Figure2-1.png "PDF] Robust mixing for ab initio quantum mechanical calculations | Semantic Scholar")
PDF] Robust mixing for ab initio quantum mechanical calculations | Semantic Scholar
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
Periodic Pulay method for robust and efficient convergence acceleration of self-consistent field iterations - ScienceDirect
The self-consistent-field cycle — Siesta Documentation
PDF) Predictive Mixing for Density Functional Theory (and other Fixed-Point Problems)
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
Restarted Pulay mixing for efficient and robust acceleration of fixed-point iterations - ScienceDirect
![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
![PDF] Imaginary-time time-dependent density functional theory and its application for robust convergence of electronic states. | Semantic Scholar](https://d3i71xaburhd42.cloudfront.net/5c2aa6f42100fa66a43f1296cd686c6daab45dc9/17-Figure3-1.png "PDF] Imaginary-time time-dependent density functional theory and its application for robust convergence of electronic states. | Semantic Scholar")
PDF] Imaginary-time time-dependent density functional theory and its application for robust convergence of electronic states. | Semantic Scholar
Robust acceleration of self consistent field calculations for density functional theory: The Journal of Chemical Physics: Vol 134, No 13
Periodic Pulay method for robust and efficient convergence acceleration of self-consistent field iterations - ScienceDirect
gpaw/mixer.py at master · qsnake/gpaw · GitHub
Robust acceleration of self consistent field calculations for density functional theory: The Journal of Chemical Physics: Vol 134, No 13
