File:Cartoon scf cycle.png
Jump to navigation
Jump to search
Size of this preview: 579 × 600 pixels. Other resolutions: 232 × 240 pixels | 700 × 725 pixels.
Original file (700 × 725 pixels, file size: 181 KB, MIME type: image/png)
Summary
Cartoon of the logical flow of a self-consistent Kohn-Sham DFT calculation. Figure from M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients, Rev. Mod. Phys. 64, 1045 (1992).
File history
Click on a date/time to view the file as it appeared at that time.
| Date/Time | Thumbnail | Dimensions | User | Comment | |
|---|---|---|---|---|---|
| current | 18:12, 8 December 2020 | | 700 × 725 (181 KB) | Andrea Ferretti (talk | contribs) | Cartoon of the logical flow of a self-consistent Kohn-Sham DFT calculation. Figure from M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, ''Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients'', Rev. Mod. Phys. '''64''', 1045 (1992). |
You cannot overwrite this file.
File usage
The following page uses this file:
