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- 23:17, 18 March 2021 diff hist +164 Electronic properties of isolated molecules →Post processing tools
- 22:36, 18 March 2021 diff hist +689 Electronic properties of isolated molecules →Post processing tools
- 21:00, 18 March 2021 diff hist +1 Electronic properties of isolated molecules →Post processing tools
- 21:00, 18 March 2021 diff hist +881 Electronic properties of isolated molecules →Post processing tools
- 20:44, 18 March 2021 diff hist +63 Electronic properties of isolated molecules →Exercise1
- 20:41, 18 March 2021 diff hist +3 Electronic properties of isolated molecules →Exercise1
- 20:41, 18 March 2021 diff hist 0 Solution LAB2 guanine →Step 1
- 20:39, 18 March 2021 diff hist 0 N File:Snapshot avogadro.png current
- 20:38, 18 March 2021 diff hist +48 Solution LAB2 guanine →Step 1
- 20:37, 18 March 2021 diff hist +8 Solution LAB2 guanine →Step 2
- 20:36, 18 March 2021 diff hist +76 Solution LAB2 guanine →Step 1
- 20:22, 18 March 2021 diff hist +2 Electronic properties of isolated molecules →Exercises
- 20:15, 18 March 2021 diff hist 0 Electronic properties of isolated molecules →Calculation of molecules: Intro
- 20:14, 18 March 2021 diff hist +6 Electronic properties of isolated molecules →Calculation of molecules: Intro
- 20:13, 18 March 2021 diff hist -1 Electronic properties of isolated molecules →Calculation of molecules: Intro
- 20:13, 18 March 2021 diff hist +1,112 Electronic properties of isolated molecules →Calculation of molecules: Intro
- 19:58, 18 March 2021 diff hist +17 Electronic properties of isolated molecules →Calculation of molecules: Intro
- 19:56, 18 March 2021 diff hist +1,785 Electronic properties of isolated molecules →Calculation of molecules: Intro
- 19:20, 18 March 2021 diff hist 0 Electronic properties of isolated molecules
- 19:18, 18 March 2021 diff hist +48 Electronic properties of isolated molecules
- 19:09, 18 March 2021 diff hist +93 Electronic properties of isolated molecules →Calculation of molecules: Intro
- 19:05, 18 March 2021 diff hist 0 N File:Molecule imaging.png current
- 19:04, 18 March 2021 diff hist 0 N File:Molecule cartoon.png current
- 18:39, 18 March 2021 diff hist +135 Plotting and visualization tools →Avogadro current
- 13:21, 18 March 2021 diff hist +59 Electronic properties of isolated molecules →Calculation of molecules: Intro
- 13:19, 18 March 2021 diff hist +6 Electronic properties of isolated molecules
- 13:15, 18 March 2021 diff hist +1,290 Electronic properties of isolated molecules
- 12:39, 18 March 2021 diff hist +6 Getting Started →Opt1: Using Quantum Mobile
- 12:38, 18 March 2021 diff hist +141 Getting Started →Opt1: Using Quantum Mobile
- 16:00, 16 December 2020 diff hist +7 Solution LAB1 bands DOS diamond →Band structure of Diamond current
- 16:00, 16 December 2020 diff hist +38 Solution LAB1 bands DOS diamond →Band structure of Diamond
- 15:59, 16 December 2020 diff hist +70 Solution LAB1 bands DOS diamond
- 15:59, 16 December 2020 diff hist -1 Solution LAB1 bands DOS diamond →Preliminaries
- 15:58, 16 December 2020 diff hist +258 Solution LAB1 bands DOS diamond →Band structure of Diamond
- 15:57, 16 December 2020 diff hist 0 N File:Common-Brillouin-zone-of-diamond-and-zinc-blende-semiconductors Q640.jpg current
- 15:33, 16 December 2020 diff hist +460 Non self-consistent calculations: Band structures and Density Of States →Examples and Exercises
- 15:26, 16 December 2020 diff hist 0 Solution LAB1 bands DOS diamond →Band structure of Diamond
- 15:26, 16 December 2020 diff hist 0 Solution LAB1 bands DOS diamond →Band structure of Diamond
- 15:25, 16 December 2020 diff hist 0 N File:Bands diamond.jpg current
- 15:23, 16 December 2020 diff hist +305 Solution LAB1 bands DOS diamond
- 15:10, 16 December 2020 diff hist +19 Solution LAB1 diamond bulk modulus →Bulk modulus of diamond current
- 15:09, 16 December 2020 diff hist +851 Solution LAB1 diamond bulk modulus →Bulk modulus of diamond
- 14:20, 16 December 2020 diff hist +933 N Solution LAB1 diamond bulk modulus Created page with " * Back to the previous page: Structural and electronic properties of semiconductors and metals #Convergences ===Bulk modulus of diamond=== Using the data produced in th..."
- 14:12, 16 December 2020 diff hist +16 Solution LAB1 diamond lattice parameter →Results as a function of the cutoff current
- 14:11, 16 December 2020 diff hist +30 Solution LAB1 diamond lattice parameter →Results as a function of the cutoff
- 14:09, 16 December 2020 diff hist 0 Solution LAB1 diamond lattice parameter →Results as a function of the cutoff
- 14:08, 16 December 2020 diff hist +36 Solution LAB1 diamond lattice parameter →Results as a function of the cutoff
- 14:04, 16 December 2020 diff hist -24 Solution LAB1 diamond lattice parameter →Results as a function of the cutoff
- 14:02, 16 December 2020 diff hist +432 Solution LAB1 diamond lattice parameter →Results as a function of the cutoff
- 13:58, 16 December 2020 diff hist 0 N File:Figure alat 80Ry.png current
- 13:58, 16 December 2020 diff hist 0 N File:Figure alat 60Ry.png current
- 13:58, 16 December 2020 diff hist 0 N File:Figure alat 50Ry.png current
- 13:57, 16 December 2020 diff hist 0 N File:Figure alat 40Ry.png current
- 13:57, 16 December 2020 diff hist 0 N File:Figure alat 30Ry.png current
- 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