User contributions for Andrea Ferretti
A user with 354 edits. Account created on 16 October 2020.
8 December 2020
- 16:4116:41, 8 December 2020 diff hist −39 Solution 0 4 1 No edit summary
- 16:3916:39, 8 December 2020 diff hist +1 Structural and electronic properties of semiconductors and metals →Exercises
- 16:3416:34, 8 December 2020 diff hist +114 Solution LAB1 kpt convergence →Convergence wrt k-points
- 16:3216:32, 8 December 2020 diff hist +12 Structural and electronic properties of semiconductors and metals →Exercises
- 16:3116:31, 8 December 2020 diff hist +18 Structural and electronic properties of semiconductors and metals No edit summary
- 16:2916:29, 8 December 2020 diff hist +6 Structural and electronic properties of semiconductors and metals →Output file description:
- 16:2916:29, 8 December 2020 diff hist +796 Structural and electronic properties of semiconductors and metals →Output file description:
- 16:2316:23, 8 December 2020 diff hist −5 Structural and electronic properties of semiconductors and metals →Output file description:
- 16:2316:23, 8 December 2020 diff hist +14 Structural and electronic properties of semiconductors and metals →Output file description:
- 16:2016:20, 8 December 2020 diff hist +140 Structural and electronic properties of semiconductors and metals →Output file description:
- 16:1816:18, 8 December 2020 diff hist +12 Structural and electronic properties of semiconductors and metals →Output file description:
- 16:1716:17, 8 December 2020 diff hist +1 Structural and electronic properties of semiconductors and metals →Output file description:
- 16:1716:17, 8 December 2020 diff hist −5 Structural and electronic properties of semiconductors and metals →Output file description:
- 16:1616:16, 8 December 2020 diff hist +5 Structural and electronic properties of semiconductors and metals →Output file description:
- 16:1616:16, 8 December 2020 diff hist +6 Structural and electronic properties of semiconductors and metals →Output file description:
- 16:1516:15, 8 December 2020 diff hist +19 Structural and electronic properties of semiconductors and metals →Output file description:
- 16:1216:12, 8 December 2020 diff hist +339 N File:Cartoon scf cycle.png 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). current
- 16:0916:09, 8 December 2020 diff hist +26 Structural and electronic properties of semiconductors and metals →Running pw.x
- 16:0816:08, 8 December 2020 diff hist +10 Structural and electronic properties of semiconductors and metals →Running pw.x
- 16:0816:08, 8 December 2020 diff hist +592 Structural and electronic properties of semiconductors and metals →Structural and electronic properties of Diamond
4 December 2020
- 08:1008:10, 4 December 2020 diff hist +47 Scripting →Exercises
2 December 2020
- 13:3513:35, 2 December 2020 diff hist −2 Scripting →Bash scripting
- 13:3113:31, 2 December 2020 diff hist 0 File:Plot conv kpt.jpg Andrea Ferretti uploaded a new version of File:Plot conv kpt.jpg current
- 13:2413:24, 2 December 2020 diff hist +1,185 Structural and electronic properties of semiconductors and metals →Exercises
- 13:1213:12, 2 December 2020 diff hist −5 Structural and electronic properties of semiconductors and metals →Exercises:
- 13:1213:12, 2 December 2020 diff hist +1 Structural and electronic properties of semiconductors and metals →Exercise
- 13:1113:11, 2 December 2020 diff hist +8 Solution LAB1 kpt convergence →Convergence wrt k-points
- 13:1113:11, 2 December 2020 diff hist −26 Solution LAB1 kpt convergence →Convergence wrt k-points
- 13:0813:08, 2 December 2020 diff hist +218 Solution LAB1 kpt convergence →Convergence wrt k-points
- 13:0413:04, 2 December 2020 diff hist +59 N File:Plot conv kpt.jpg plot for kpt convergence of exercise 1, LAB_1
- 12:5912:59, 2 December 2020 diff hist +492 Solution LAB1 kpt convergence →Convergence wrt k-points
- 12:4412:44, 2 December 2020 diff hist +259 Solution LAB1 kpt convergence →Convergence wrt k-points
- 12:4212:42, 2 December 2020 diff hist +112 Solution LAB1 kpt convergence →Convergence wrt k-points
- 12:4012:40, 2 December 2020 diff hist +7 Solution LAB1 kpt convergence →Convergence wrt k-points
- 12:3912:39, 2 December 2020 diff hist +4 Solution LAB1 kpt convergence →Convergence wrt k-points
- 12:2312:23, 2 December 2020 diff hist +4,312 N Solution LAB1 kpt convergence Created page with " === Convergence wrt k-points === A possible script to run multiple scf calculations using <code>pw.x</code> is [https://github.com/max-centre/LabQSM/blob/main/LAB_1/test_d..."
- 11:2011:20, 2 December 2020 diff hist +4 Structural and electronic properties of semiconductors and metals →Exercise 1
- 11:2011:20, 2 December 2020 diff hist +6 Structural and electronic properties of semiconductors and metals →Exercise 1
- 11:1911:19, 2 December 2020 diff hist +3 Structural and electronic properties of semiconductors and metals →Exercise 1
- 11:1811:18, 2 December 2020 diff hist −2 Structural and electronic properties of semiconductors and metals →Exercise 1
- 11:1711:17, 2 December 2020 diff hist +486 Structural and electronic properties of semiconductors and metals →Exercises:
- 11:0211:02, 2 December 2020 diff hist +92 Scripting →Exercise 3
- 11:0111:01, 2 December 2020 diff hist +159 Scripting →Exercise 2
25 November 2020
- 15:3515:35, 25 November 2020 diff hist +13 Warming up with Unix commands →Creating and editing text files
- 14:5714:57, 25 November 2020 diff hist +113 Warming up with Unix commands →Processes
- 14:4914:49, 25 November 2020 diff hist +422 Warming up with Unix commands →Creating, removing, copying, and moving files and directories
- 14:3814:38, 25 November 2020 diff hist +1 LabQSM →Opt2: Connecting to existing machines
- 14:3714:37, 25 November 2020 diff hist +655 LabQSM →Opt2: Connecting to existing machines
- 13:2613:26, 25 November 2020 diff hist +363 Scripting →awk
- 13:1813:18, 25 November 2020 diff hist +277 Scripting →Exercise 4