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- 13:57, 16 December 2020 diff hist 0 N File:Figure alat 20Ry.png current
- 13:56, 16 December 2020 diff hist +1 Solution LAB1 diamond lattice parameter →Lattice parameter of diamond
- 13:55, 16 December 2020 diff hist +146 Solution LAB1 diamond lattice parameter →Results as a function of the cutoff
- 13:53, 16 December 2020 diff hist +735 Solution LAB1 diamond lattice parameter →Lattice parameter of diamond
- 13:47, 16 December 2020 diff hist +1,079 N Solution LAB1 diamond lattice parameter Created page with " * Back to the previous page: Structural and electronic properties of semiconductors and metals #Convergences ===Lattice parameter of diamond=== Given the convergence st..."
- 11:56, 16 December 2020 diff hist +883 Solution LAB1 bands DOS diamond
- 11:49, 16 December 2020 diff hist +39 Solution LAB1 bands DOS diamond
- 11:48, 16 December 2020 diff hist +1,842 Solution LAB1 bands DOS diamond →Band structure and DOS of Diamond
- 11:31, 16 December 2020 diff hist 0 Non self-consistent calculations: Band structures and Density Of States →Band structure
- 11:31, 16 December 2020 diff hist -1 Non self-consistent calculations: Band structures and Density Of States →DOS
- 11:30, 16 December 2020 diff hist 0 N File:Dos diamond.jpg current
- 11:09, 16 December 2020 diff hist +6 LabQSM
- 11:09, 16 December 2020 diff hist +14 LabQSM
- 11:07, 16 December 2020 diff hist +48 LabQSM →Getting Started
- 11:06, 16 December 2020 diff hist -6,423 LabQSM →Getting Started
- 11:04, 16 December 2020 diff hist -4 Getting Started →Getting Started
- 11:03, 16 December 2020 diff hist +1 Getting Started →Training material
- 11:03, 16 December 2020 diff hist +2 Getting Started →Getting Started
- 11:01, 16 December 2020 diff hist +6,586 N Getting Started Created page with " * Back to the previous page: LabQSM#Getting Started ==Getting Started== In order to go through this tutorial you need to have access to a Unix/Linux machine, where you..."
- 10:59, 16 December 2020 diff hist +571 LabQSM
- 10:52, 16 December 2020 diff hist +219 Solution LAB1 bands DOS diamond →Band structure and DOS of Diamond
- 09:37, 16 December 2020 diff hist +156 N Solution LAB1 bands DOS diamond Created page with " * Back to the previous page: Structural and electronic properties of semiconductors and metals #Convergences === Band structure and DOS of Diamond ==="
- 09:37, 16 December 2020 diff hist +309 Non self-consistent calculations: Band structures and Density Of States →Examples and Exercises
- 09:36, 16 December 2020 diff hist -1 Structural and electronic properties of semiconductors and metals →Exercise 5
- 09:32, 16 December 2020 diff hist +24 Non self-consistent calculations: Band structures and Density Of States →Band structure
- 09:32, 16 December 2020 diff hist -2 Non self-consistent calculations: Band structures and Density Of States →Band structure
- 09:31, 16 December 2020 diff hist +162 Non self-consistent calculations: Band structures and Density Of States →Band structure
- 09:11, 16 December 2020 diff hist +13 Non self-consistent calculations: Band structures and Density Of States →Band structure
- 09:05, 16 December 2020 diff hist +817 Non self-consistent calculations: Band structures and Density Of States →Band structure
- 08:55, 16 December 2020 diff hist 0 Non self-consistent calculations: Band structures and Density Of States →Band structure
- 08:14, 16 December 2020 diff hist +927 Non self-consistent calculations: Band structures and Density Of States →Band structure
- 08:02, 16 December 2020 diff hist +1,622 Non self-consistent calculations: Band structures and Density Of States →Non self-consistent calculations: Intro
- 07:47, 16 December 2020 diff hist +877 Non self-consistent calculations: Band structures and Density Of States →Non self-consistent calculations: Intro
- 07:40, 16 December 2020 diff hist +1 Non self-consistent calculations: Band structures and Density Of States →Non self-consistent calculations: Intro
- 07:39, 16 December 2020 diff hist 0 Non self-consistent calculations: Band structures and Density Of States →Non self-consistent calculations: Intro
- 07:38, 16 December 2020 diff hist +175 N File:Si band structure.png Silicon band structure. Originals from [https://www.tf.uni-kiel.de/matwis/amat/td_kin_ii/index.html Thermodynamics and Kinetics II, Dr. J. Carstensen, Univ. Kiel current
- 07:37, 16 December 2020 diff hist +162 Non self-consistent calculations: Band structures and Density Of States
- 07:30, 16 December 2020 diff hist +4 Structural and electronic properties of semiconductors and metals
- 07:30, 16 December 2020 diff hist +72 Structural and electronic properties of semiconductors and metals
- 07:29, 16 December 2020 diff hist +1,119 N Non self-consistent calculations: Band structures and Density Of States Created page with " Prev: LabQSM#Lecture 1: Basic DFT calculations and Convergences Next: [[]] ==Non self-consistent calculations: Intro== left |thumb Once the ch..."
- 07:29, 16 December 2020 diff hist +11 Structural and electronic properties of semiconductors and metals
- 07:08, 16 December 2020 diff hist +15 Structural and electronic properties of semiconductors and metals →Structural Relaxation
- 07:07, 16 December 2020 diff hist +2 Structural and electronic properties of semiconductors and metals →Structural Relaxation
- 07:06, 16 December 2020 diff hist +206 Structural and electronic properties of semiconductors and metals →Structural Relaxation
- 07:01, 16 December 2020 diff hist -1 Structural and electronic properties of semiconductors and metals →Exercise 7
- 09:31, 13 December 2020 diff hist +237 Main Page
- 17:36, 9 December 2020 diff hist +772 Solution LAB1 kpt convergence →Convergence wrt k-points current
- 15:35, 9 December 2020 diff hist +221 Structural and electronic properties of semiconductors and metals →Exercise 7
- 15:26, 9 December 2020 diff hist +676 Structural and electronic properties of semiconductors and metals →Exercise 7
- 15:06, 9 December 2020 diff hist +26 Structural and electronic properties of semiconductors and metals →Exercise 7
- 15:04, 9 December 2020 diff hist +446 Structural and electronic properties of semiconductors and metals →Lattice parameter & Elastic constants
- 14:56, 9 December 2020 diff hist +2 Structural and electronic properties of semiconductors and metals
- 14:55, 9 December 2020 diff hist +3 Solution LAB1 ecutwfc convergence 3 current
- 14:55, 9 December 2020 diff hist +3 Solution LAB1 ecutwfc convergence 2 current
- 14:55, 9 December 2020 diff hist +3 Solution LAB1 ecutwfc convergence current
- 14:54, 9 December 2020 diff hist +3 Solution LAB1 kpt convergence
- 14:54, 9 December 2020 diff hist +3 Solution 0 4 1 current
- 14:53, 9 December 2020 diff hist +2 Structural and electronic properties of semiconductors and metals →Exercises
- 14:53, 9 December 2020 diff hist -2 Structural and electronic properties of semiconductors and metals →Output file description:
- 14:50, 9 December 2020 diff hist +453 Structural and electronic properties of semiconductors and metals →Exercise 6
- 14:50, 9 December 2020 diff hist -1 Structural and electronic properties of semiconductors and metals →Exercise 2
- 13:49, 9 December 2020 diff hist +361 Structural and electronic properties of semiconductors and metals
- 13:45, 9 December 2020 diff hist +1,543 Solution LAB1 ecutwfc convergence 3 →Convergence of the total energy differences and forces wrt the kinetic energy cutoff
- 13:31, 9 December 2020 diff hist +80 N File:Data etot diffdispl log.jpg total energy differences vs total energy for displaced structures. current
- 13:29, 9 December 2020 diff hist +1,321 N Solution LAB1 ecutwfc convergence 3 Created page with " * Back to the previous page: Structural and electronic properties of semiconductors and metals #Exercises === Convergence of the total energy differences and forces wrt..."
- 12:43, 9 December 2020 diff hist +4 Solution LAB1 ecutwfc convergence 2 →Convergence of total energy differences wrt the kinetic energy cutoff
- 12:19, 9 December 2020 diff hist +1,668 Solution LAB1 ecutwfc convergence 2 →Convergence of total energy differences wrt the kinetic energy cutoff
- 10:36, 9 December 2020 diff hist +71 N File:Data etot difflatt log.jpg total energy differences (different lattices) wrt ecutwfc current
- 10:35, 9 December 2020 diff hist +356 Solution LAB1 ecutwfc convergence 2
- 07:55, 9 December 2020 diff hist +525 Structural and electronic properties of semiconductors and metals →Exercises
- 07:51, 9 December 2020 diff hist +5 Structural and electronic properties of semiconductors and metals →Exercise 1
- 07:49, 9 December 2020 diff hist +1 Structural and electronic properties of semiconductors and metals →Exercises
- 22:41, 8 December 2020 diff hist 0 Solution LAB1 ecutwfc convergence 2 →Convergence of total energy differences wrt the kinetic energy cutoff
- 22:41, 8 December 2020 diff hist +2,598 Solution LAB1 ecutwfc convergence 2 →Convergence of total energy differences wrt the kinetic energy cutoff
- 22:15, 8 December 2020 diff hist +4 Solution LAB1 ecutwfc convergence 2 →Convergence of total energy differences wrt the kinetic energy cutoff
- 22:15, 8 December 2020 diff hist +1,036 N Solution LAB1 ecutwfc convergence 2 Created page with " * Back to the previous page: Structural and electronic properties of semiconductors and metals #Exercises === Convergence of total energy differences wrt the kinetic ene..."
- 22:03, 8 December 2020 diff hist -1 Structural and electronic properties of semiconductors and metals →Exercise 3
- 21:58, 8 December 2020 diff hist +20 Solution LAB1 ecutwfc convergence
- 21:57, 8 December 2020 diff hist +114 Structural and electronic properties of semiconductors and metals →Exercise 4
- 21:55, 8 December 2020 diff hist +1 Structural and electronic properties of semiconductors and metals →Exercises
- 21:54, 8 December 2020 diff hist +182 Structural and electronic properties of semiconductors and metals →Exercise 3
- 21:51, 8 December 2020 diff hist -1 Structural and electronic properties of semiconductors and metals →Exercise 3
- 20:55, 8 December 2020 diff hist +343 Solution LAB1 ecutwfc convergence →Convergence wrt the kinetic energy cutoff
- 20:52, 8 December 2020 diff hist -20 Solution LAB1 ecutwfc convergence →Convergence wrt the kinetic energy cutoff
- 20:51, 8 December 2020 diff hist +1 Solution LAB1 ecutwfc convergence →Convergence wrt the kinetic energy cutoff
- 20:51, 8 December 2020 diff hist +62 Solution LAB1 ecutwfc convergence →Convergence wrt the kinetic energy cutoff
- 20:47, 8 December 2020 diff hist +13 Solution LAB1 ecutwfc convergence →Convergence wrt the kinetic energy cutoff
- 20:47, 8 December 2020 diff hist -1 Solution LAB1 ecutwfc convergence →Convergence wrt the kinetic energy cutoff
- 20:46, 8 December 2020 diff hist +234 Solution LAB1 ecutwfc convergence →Convergence wrt the kinetic energy cutoff
- 20:44, 8 December 2020 diff hist +40 Solution LAB1 kpt convergence
- 20:42, 8 December 2020 diff hist +29 N File:Data timing.jpg time vs ecutwfc current
- 20:42, 8 December 2020 diff hist +39 N File:Data etot log.jpg tot vs ecutwfc, log scale current
- 20:42, 8 December 2020 diff hist +29 N File:Data etot.jpg Etot vs ecutwfc current
- 20:41, 8 December 2020 diff hist +3,321 N Solution LAB1 ecutwfc convergence Created page with " * Back to the previous page: Structural and electronic properties of semiconductors and metals #Exercises === Convergence wrt the kinetic energy cutoff === We can start..."
- 18:42, 8 December 2020 diff hist -27 Solution LAB1 kpt convergence Tag: Visual edit: Switched
- 18:41, 8 December 2020 diff hist -39 Solution 0 4 1
- 18:39, 8 December 2020 diff hist +1 Structural and electronic properties of semiconductors and metals →Exercises
- 18:34, 8 December 2020 diff hist +114 Solution LAB1 kpt convergence →Convergence wrt k-points
- 18:32, 8 December 2020 diff hist +12 Structural and electronic properties of semiconductors and metals →Exercises
- 18:31, 8 December 2020 diff hist +18 Structural and electronic properties of semiconductors and metals