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- 18:29, 8 December 2020 diff hist +6 Structural and electronic properties of semiconductors and metals →Output file description:
- 18:29, 8 December 2020 diff hist +796 Structural and electronic properties of semiconductors and metals →Output file description:
- 18:23, 8 December 2020 diff hist -5 Structural and electronic properties of semiconductors and metals →Output file description:
- 18:23, 8 December 2020 diff hist +14 Structural and electronic properties of semiconductors and metals →Output file description:
- 18:20, 8 December 2020 diff hist +140 Structural and electronic properties of semiconductors and metals →Output file description:
- 18:18, 8 December 2020 diff hist +12 Structural and electronic properties of semiconductors and metals →Output file description:
- 18:17, 8 December 2020 diff hist +1 Structural and electronic properties of semiconductors and metals →Output file description:
- 18:17, 8 December 2020 diff hist -5 Structural and electronic properties of semiconductors and metals →Output file description:
- 18:16, 8 December 2020 diff hist +5 Structural and electronic properties of semiconductors and metals →Output file description:
- 18:16, 8 December 2020 diff hist +6 Structural and electronic properties of semiconductors and metals →Output file description:
- 18:15, 8 December 2020 diff hist +19 Structural and electronic properties of semiconductors and metals →Output file description:
- 18:12, 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
- 18:09, 8 December 2020 diff hist +26 Structural and electronic properties of semiconductors and metals →Running pw.x
- 18:08, 8 December 2020 diff hist +10 Structural and electronic properties of semiconductors and metals →Running pw.x
- 18:08, 8 December 2020 diff hist +592 Structural and electronic properties of semiconductors and metals →Structural and electronic properties of Diamond
- 10:10, 4 December 2020 diff hist +47 Scripting →Exercises
- 15:35, 2 December 2020 diff hist -2 Scripting →Bash scripting
- 15:31, 2 December 2020 diff hist 0 File:Plot conv kpt.jpg Andrea Ferretti uploaded a new version of File:Plot conv kpt.jpg current
- 15:24, 2 December 2020 diff hist +1,185 Structural and electronic properties of semiconductors and metals →Exercises
- 15:12, 2 December 2020 diff hist -5 Structural and electronic properties of semiconductors and metals →Exercises:
- 15:12, 2 December 2020 diff hist +1 Structural and electronic properties of semiconductors and metals →Exercise
- 15:11, 2 December 2020 diff hist +8 Solution LAB1 kpt convergence →Convergence wrt k-points
- 15:11, 2 December 2020 diff hist -26 Solution LAB1 kpt convergence →Convergence wrt k-points
- 15:08, 2 December 2020 diff hist +218 Solution LAB1 kpt convergence →Convergence wrt k-points
- 15:04, 2 December 2020 diff hist +59 N File:Plot conv kpt.jpg plot for kpt convergence of exercise 1, LAB_1
- 14:59, 2 December 2020 diff hist +492 Solution LAB1 kpt convergence →Convergence wrt k-points
- 14:44, 2 December 2020 diff hist +259 Solution LAB1 kpt convergence →Convergence wrt k-points
- 14:42, 2 December 2020 diff hist +112 Solution LAB1 kpt convergence →Convergence wrt k-points
- 14:40, 2 December 2020 diff hist +7 Solution LAB1 kpt convergence →Convergence wrt k-points
- 14:39, 2 December 2020 diff hist +4 Solution LAB1 kpt convergence →Convergence wrt k-points
- 14:23, 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..."
- 13:20, 2 December 2020 diff hist +4 Structural and electronic properties of semiconductors and metals →Exercise 1
- 13:20, 2 December 2020 diff hist +6 Structural and electronic properties of semiconductors and metals →Exercise 1
- 13:19, 2 December 2020 diff hist +3 Structural and electronic properties of semiconductors and metals →Exercise 1
- 13:18, 2 December 2020 diff hist -2 Structural and electronic properties of semiconductors and metals →Exercise 1
- 13:17, 2 December 2020 diff hist +486 Structural and electronic properties of semiconductors and metals →Exercises:
- 13:02, 2 December 2020 diff hist +92 Scripting →Exercise 3
- 13:01, 2 December 2020 diff hist +159 Scripting →Exercise 2
- 17:35, 25 November 2020 diff hist +13 Warming up with Unix commands →Creating and editing text files
- 16:57, 25 November 2020 diff hist +113 Warming up with Unix commands →Processes
- 16:49, 25 November 2020 diff hist +422 Warming up with Unix commands →Creating, removing, copying, and moving files and directories
- 16:38, 25 November 2020 diff hist +1 LabQSM →Opt2: Connecting to existing machines
- 16:37, 25 November 2020 diff hist +655 LabQSM →Opt2: Connecting to existing machines
- 15:26, 25 November 2020 diff hist +363 Scripting →awk
- 15:18, 25 November 2020 diff hist +277 Scripting →Exercise 4
- 15:12, 25 November 2020 diff hist +739 Scripting →Exercise 3
- 15:08, 25 November 2020 diff hist +260 Scripting →Exercise 2
- 14:19, 25 November 2020 diff hist +553 Scripting →Exercise 2
- 14:10, 25 November 2020 diff hist +533 Scripting →Bash control statements
- 14:04, 25 November 2020 diff hist +21 Scripting →Exercises
- 14:01, 25 November 2020 diff hist +526 Scripting
- 13:48, 25 November 2020 diff hist +666 Scripting
- 13:41, 25 November 2020 diff hist 0 Scripting →awk
- 13:41, 25 November 2020 diff hist -4 Scripting →awk
- 13:39, 25 November 2020 diff hist +787 Scripting →awk
- 13:16, 25 November 2020 diff hist +189 Scripting →Sed & Awk
- 13:11, 25 November 2020 diff hist +604 Scripting
- 13:03, 25 November 2020 diff hist +94 Scripting →Bash scripting
- 13:02, 25 November 2020 diff hist +1,450 Scripting
- 12:44, 25 November 2020 diff hist +9 LabQSM
- 12:44, 25 November 2020 diff hist +42 LabQSM
- 12:42, 25 November 2020 diff hist -5 Warming up with Unix commands
- 12:42, 25 November 2020 diff hist +29 N Scripting Created page with "left| 180px"
- 12:42, 25 November 2020 diff hist -5 LabQSM →Lecture 0: The Unix environment Tag: Visual edit
- 12:31, 25 November 2020 diff hist -10 Warming up with Unix commands →Getting Stearted
- 12:30, 25 November 2020 diff hist +63 Warming up with Unix commands
- 12:27, 25 November 2020 diff hist +719 Warming up with Unix commands →Exercise 2
- 12:04, 25 November 2020 diff hist +3 Warming up with Unix commands →Exercise 1 Tag: Visual edit: Switched
- 12:04, 25 November 2020 diff hist -2 Warming up with Unix commands →Exercise 1
- 12:03, 25 November 2020 diff hist +560 Warming up with Unix commands →Exercise 1
- 11:49, 25 November 2020 diff hist +281 Warming up with Unix commands →Combining commands
- 11:43, 25 November 2020 diff hist +138 Warming up with Unix commands →Environment
- 11:42, 25 November 2020 diff hist +784 Warming up with Unix commands →Combining commands
- 11:09, 25 November 2020 diff hist +6 Warming up with Unix commands →Exercise
- 11:08, 25 November 2020 diff hist +199 Warming up with Unix commands →Exercise
- 11:08, 25 November 2020 diff hist -268 Warming up with Unix commands →Exercise
- 11:07, 25 November 2020 diff hist +69 Warming up with Unix commands →Exercise
- 11:07, 25 November 2020 diff hist +199 Warming up with Unix commands →Exercise
- 11:04, 25 November 2020 diff hist +106 Warming up with Unix commands →More commands
- 11:01, 25 November 2020 diff hist +154 Warming up with Unix commands →Exercise
- 10:58, 25 November 2020 diff hist +1 Warming up with Unix commands →Creating, removing, copying, and moving files and directories
- 10:58, 25 November 2020 diff hist -2 Warming up with Unix commands →Creating, removing, copying, and moving files and directories
- 10:55, 25 November 2020 diff hist +34 Warming up with Unix commands →Creating, removing, copying, and moving files and directories
- 10:55, 25 November 2020 diff hist -1 LabQSM →Lecture 0: The Unix environment
- 10:54, 25 November 2020 diff hist 0 Warming up with Unix commands →Creating, removing, copying, and moving files and directories Tag: Visual edit: Switched
- 10:53, 25 November 2020 diff hist +30 Warming up with Unix commands →Creating, removing, copying, and moving files and directories
- 10:50, 25 November 2020 diff hist +157 Warming up with Unix commands →Creating, removing, copying and moving files and directories Tag: Visual edit: Switched
- 10:46, 25 November 2020 diff hist +70 Warming up with Unix commands →Environment
- 10:44, 25 November 2020 diff hist -2 Warming up with Unix commands →Environment
- 10:44, 25 November 2020 diff hist +1 Warming up with Unix commands →Creating and editing text files
- 10:42, 25 November 2020 diff hist +159 Warming up with Unix commands →Creating and editing text files
- 10:32, 25 November 2020 diff hist -17 Warming up with Unix commands →Environment
- 10:31, 25 November 2020 diff hist +259 Warming up with Unix commands →Environment
- 08:09, 25 November 2020 diff hist +86 Warming up with Unix commands →Processes
- 08:00, 25 November 2020 diff hist +12 Warming up with Unix commands →Processes
- 07:59, 25 November 2020 diff hist -2 Warming up with Unix commands →Processes
- 07:59, 25 November 2020 diff hist -1 Warming up with Unix commands →=Environment=
- 07:58, 25 November 2020 diff hist -20 Warming up with Unix commands →Useful commands
- 07:57, 25 November 2020 diff hist +158 Warming up with Unix commands →Users, Groups & Permissions
- 07:54, 25 November 2020 diff hist -2 Warming up with Unix commands →Users, Groups & Permissions