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- 20:05, 1 April 2021 diff hist 0 Solution LAB3 CNT →Step 2 current
- 19:48, 1 April 2021 diff hist +23 Solution LAB3 CNT →Step 2
- 19:23, 1 April 2021 diff hist +6 Solution LAB3 CNT →Step 2
- 19:23, 1 April 2021 diff hist +49 Solution LAB3 CNT →Step 2
- 19:22, 1 April 2021 diff hist +112 Solution LAB3 CNT →Step 2
- 19:04, 1 April 2021 diff hist +178 Solution LAB3 CNT
- 18:58, 1 April 2021 diff hist +4 Solution LAB3 CNT
- 18:57, 1 April 2021 diff hist +326 Solution LAB3 CNT
- 18:28, 1 April 2021 diff hist +15 Solution LAB3 CNT
- 18:27, 1 April 2021 diff hist +103 Solution LAB3 CNT
- 18:26, 1 April 2021 diff hist +143 N Solution LAB3 CNT Created page with "In order to build the cell we can use a CNT generator, several options available: *go to http://turin.nss.udel.edu/research/tubegenonline.html"
- 18:20, 1 April 2021 diff hist +31 Electronic properties of 2D and 1D systems →Exercise 3: A small Carbon nanotube (CNT) current
- 18:14, 1 April 2021 diff hist +78 Electronic properties of 2D and 1D systems →Exercise 3: A small Carbon nanotube (CNT)
- 18:11, 1 April 2021 diff hist +78 Electronic properties of 2D and 1D systems →Exercise 3: A small Carbon nanotube (CNT)
- 18:10, 1 April 2021 diff hist +137 Electronic properties of 2D and 1D systems →Exercise 3: A small Carbon nanotube (CNT)
- 18:09, 1 April 2021 diff hist -32 Electronic properties of 2D and 1D systems →Exercise 3: A small Carbon nanotube (CNT)
- 18:08, 1 April 2021 diff hist 0 N File:Cnt chirality.jpg current
- 18:08, 1 April 2021 diff hist +33 Electronic properties of 2D and 1D systems →Exercise 3: A small Carbon nanotube (CNT)
- 18:07, 1 April 2021 diff hist -3 Electronic properties of 2D and 1D systems →Exercise 3: A small Carbon nanotube (CNT)
- 18:07, 1 April 2021 diff hist -1 Electronic properties of 2D and 1D systems
- 18:07, 1 April 2021 diff hist +56 Electronic properties of 2D and 1D systems
- 18:00, 1 April 2021 diff hist +6 Electronic properties of 2D and 1D systems →Exercise 3: A small Carbon nanotube (CNT)
- 17:59, 1 April 2021 diff hist -6 Electronic properties of 2D and 1D systems →Exercise 3: A small Carbon nanotube (CNT)
- 17:59, 1 April 2021 diff hist 0 Electronic properties of 2D and 1D systems →Exercise 3: A small Carbon nanotube (CNT)
- 17:58, 1 April 2021 diff hist 0 N File:Cnt bs.png current
- 17:58, 1 April 2021 diff hist +7 Electronic properties of 2D and 1D systems →Exercise 3: A small Carbon nanotube (CNT)
- 17:57, 1 April 2021 diff hist -9 Electronic properties of 2D and 1D systems →Exercise 3: A small Carbon nanotube (CNT)
- 17:57, 1 April 2021 diff hist -2 Electronic properties of 2D and 1D systems →Exercise 3: A small Carbon nanotube (CNT)
- 17:56, 1 April 2021 diff hist +35 Electronic properties of 2D and 1D systems →Exercise 3: A small Carbon nanotube (CNT)
- 17:55, 1 April 2021 diff hist +108 Electronic properties of 2D and 1D systems →Exercise 3: A small Carbon nanotube (CNT)
- 17:49, 1 April 2021 diff hist +213 Electronic properties of 2D and 1D systems →Exercise 3: A small Carbon nanotube (CNT)
- 17:48, 1 April 2021 diff hist +18 Electronic properties of 2D and 1D systems →Exercise 3: A small CNT
- 17:47, 1 April 2021 diff hist +32 Electronic properties of 2D and 1D systems →Exercise 2: 2D Hexagonal Boron Nitride (hBN)
- 17:46, 1 April 2021 diff hist +4 Electronic properties of 2D and 1D systems →Exercise 2: 2D Hexagonal Boron Nitride (hBN)
- 17:46, 1 April 2021 diff hist +25 N File:Hbn.png hbn picture current
- 17:45, 1 April 2021 diff hist +24 Electronic properties of 2D and 1D systems
- 17:43, 1 April 2021 diff hist +61 Solution LAB3 hBN
- 17:41, 1 April 2021 diff hist +21 Electronic properties of 2D and 1D systems →Exercise 2: 2D Hexagonal Boron Nitride (hBN)
- 17:41, 1 April 2021 diff hist +85 Electronic properties of 2D and 1D systems →Exercise 2: Hexagonal Boron Nitride (hBN)
- 17:39, 1 April 2021 diff hist 0 Electronic properties of 2D and 1D systems →Exercise 2: Hexagonal Boron Nitrite (hBN)
- 17:39, 1 April 2021 diff hist +5 Solution LAB3 hBN
- 17:39, 1 April 2021 diff hist +51 Solution LAB3 hBN
- 17:38, 1 April 2021 diff hist +44 Solution LAB3 hBN
- 17:38, 1 April 2021 diff hist -17 Solution LAB3 hBN
- 17:37, 1 April 2021 diff hist +92 Solution LAB3 hBN
- 17:36, 1 April 2021 diff hist +40 Solution LAB3 hBN
- 17:35, 1 April 2021 diff hist +151 N Solution LAB3 hBN Created page with "Now we do have two non-equivalent atoms *If you do not have already done, git pull the Labreporisot *Use the same input used for graphene replacing the"
- 17:34, 1 April 2021 diff hist +31 Electronic properties of 2D and 1D systems →Exercise 2: Hexagonal Boron Nitrite (hBN)
- 17:27, 1 April 2021 diff hist +66 Electronic properties of 2D and 1D systems →Exercise 2: Hexagonal Boron Nitrite (hBN)
- 17:24, 1 April 2021 diff hist +32 Solution LAB3 graphene →Step 4 current
- 17:16, 1 April 2021 diff hist +216 Solution LAB3 graphene
- 16:48, 1 April 2021 diff hist +23 Solution LAB3 graphene →Step 3
- 16:41, 1 April 2021 diff hist +203 Solution LAB3 graphene →Step 3
- 16:39, 1 April 2021 diff hist +68 Solution LAB3 graphene →Step 3
- 16:38, 1 April 2021 diff hist +1 Solution LAB3 graphene →Step 3
- 16:38, 1 April 2021 diff hist +168 Solution LAB3 graphene →Step 3
- 16:37, 1 April 2021 diff hist +12 N File:Kpath.png current
- 14:08, 1 April 2021 diff hist +101 Electronic properties of 2D and 1D systems →Exercise 3: A small CNT
- 14:01, 1 April 2021 diff hist +55 Solution LAB3 graphene →Step 3
- 14:00, 1 April 2021 diff hist +1 Solution LAB3 graphene →Step 3
- 14:00, 1 April 2021 diff hist +11 N File:Gr bz.jpg current
- 13:58, 1 April 2021 diff hist -12 Solution LAB3 graphene →Step 3
- 13:57, 1 April 2021 diff hist +61 Solution LAB3 graphene
- 13:30, 1 April 2021 diff hist +2 Solution LAB3 graphene →Step 2
- 12:39, 1 April 2021 diff hist +6 Solution LAB3 graphene →Step 2
- 12:39, 1 April 2021 diff hist +203 Solution LAB3 graphene →Step 1
- 12:37, 1 April 2021 diff hist +11 Solution LAB3 graphene
- 12:35, 1 April 2021 diff hist +79 Solution LAB3 graphene
- 12:35, 1 April 2021 diff hist +3 Solution LAB3 graphene
- 12:35, 1 April 2021 diff hist +8 Solution LAB3 graphene Tag: Visual edit: Switched
- 12:34, 1 April 2021 diff hist +169 Solution LAB3 graphene
- 12:32, 1 April 2021 diff hist +268 Solution LAB3 graphene
- 12:29, 1 April 2021 diff hist +1 Solution LAB3 graphene
- 12:29, 1 April 2021 diff hist -1 Solution LAB3 graphene
- 12:27, 1 April 2021 diff hist +2 Solution LAB3 graphene
- 12:27, 1 April 2021 diff hist 0 Solution LAB3 graphene
- 12:25, 1 April 2021 diff hist +7 Solution LAB3 graphene
- 12:23, 1 April 2021 diff hist +1 Solution LAB3 graphene
- 12:23, 1 April 2021 diff hist +1 Solution LAB3 graphene
- 12:22, 1 April 2021 diff hist -2 Solution LAB3 graphene
- 12:22, 1 April 2021 diff hist 0 Solution LAB3 graphene
- 12:22, 1 April 2021 diff hist +7 Solution LAB3 graphene
- 12:21, 1 April 2021 diff hist -6 Solution LAB3 graphene
- 12:21, 1 April 2021 diff hist +109 Solution LAB3 graphene
- 12:19, 1 April 2021 diff hist 0 N File:Gr unit.png current
- 12:19, 1 April 2021 diff hist +27 Solution LAB3 graphene
- 12:16, 1 April 2021 diff hist +8 Solution LAB3 graphene
- 12:15, 1 April 2021 diff hist +21 Solution LAB3 graphene
- 12:15, 1 April 2021 diff hist +116 Solution LAB3 graphene
- 12:13, 1 April 2021 diff hist +1 Solution LAB3 graphene
- 12:13, 1 April 2021 diff hist -1 Solution LAB3 graphene
- 12:12, 1 April 2021 diff hist -1 Electronic properties of 2D and 1D systems →Exercises:
- 12:12, 1 April 2021 diff hist +42 Solution LAB3 graphene
- 12:11, 1 April 2021 diff hist +45 Solution LAB3 graphene
- 12:10, 1 April 2021 diff hist +1 Electronic properties of 2D and 1D systems →Exercise 1: Grapehene
- 12:09, 1 April 2021 diff hist +1 Electronic properties of 2D and 1D systems →Exercise 1: Grapehene
- 12:08, 1 April 2021 diff hist +82 Electronic properties of 2D and 1D systems →Exercise 1: Grapehene
- 12:06, 1 April 2021 diff hist -31 Electronic properties of 2D and 1D systems →Exercise 1: Grapehene
- 12:04, 1 April 2021 diff hist 0 N File:Honeycomb.png current
- 12:03, 1 April 2021 diff hist 0 Electronic properties of 2D and 1D systems →Exercise 1: Grapehene
- 11:59, 1 April 2021 diff hist +11 N Solution LAB3 graphene Created page with "Graphene is"
- 11:55, 1 April 2021 diff hist +152 Electronic properties of 2D and 1D systems →Exercise 1: Grapehene
- 11:53, 1 April 2021 diff hist 0 N File:Honeycomb.jpg current
- 11:53, 1 April 2021 diff hist 0 Electronic properties of 2D and 1D systems →Exercise 1: Grapehene
- 11:52, 1 April 2021 diff hist +35 Electronic properties of 2D and 1D systems →Exercise 1: Grapehene
- 11:44, 1 April 2021 diff hist +35 Electronic properties of 2D and 1D systems →Exercises:
- 11:37, 1 April 2021 diff hist +6 Electronic properties of 2D and 1D systems →Exercise 2: Hexagonal Boron Nitrite
- 11:36, 1 April 2021 diff hist +42 Electronic properties of 2D and 1D systems →Exercises:
- 11:35, 1 April 2021 diff hist 0 Electronic properties of 2D and 1D systems →Exercises:
- 11:35, 1 April 2021 diff hist +42 Electronic properties of 2D and 1D systems →Exercise 1:
- 11:34, 1 April 2021 diff hist 0 Electronic properties of 2D and 1D systems →Exercise 1:
- 11:33, 1 April 2021 diff hist +26 Electronic properties of 2D and 1D systems
- 11:32, 1 April 2021 diff hist -23 Electronic properties of 2D and 1D systems
- 11:32, 1 April 2021 diff hist -83 Electronic properties of 2D and 1D systems
- 11:32, 1 April 2021 diff hist -66 Electronic properties of 2D and 1D systems
- 11:31, 1 April 2021 diff hist 0 N File:Cnt.png current
- 11:31, 1 April 2021 diff hist +23 Electronic properties of 2D and 1D systems
- 11:30, 1 April 2021 diff hist +144 Electronic properties of 2D and 1D systems
- 11:22, 1 April 2021 diff hist -1 Electronic properties of 2D and 1D systems
- 11:22, 1 April 2021 diff hist +9 LabQSM →Module 3: Low dimensional structures (6h) current
- 11:21, 1 April 2021 diff hist +56 N Electronic properties of graphene Daniele Varsano moved page Electronic properties of graphene to Electronic properties of 2D and 1D systems current Tag: New redirect
- 11:21, 1 April 2021 diff hist 0 m Electronic properties of 2D and 1D systems Daniele Varsano moved page Electronic properties of graphene to Electronic properties of 2D and 1D systems
- 11:21, 1 April 2021 diff hist -48 LabQSM →Module 3: Low dimensional structures (6h)
- 11:20, 1 April 2021 diff hist +39 LabQSM →Module 3: Low dimensional structures (6h)
- 11:19, 1 April 2021 diff hist +3 LabQSM →Module 3: Low dimensional structures (6h)
- 11:18, 1 April 2021 diff hist -42 LabQSM →Module 3: Low dimensional structures (6h)
- 11:17, 1 April 2021 diff hist -5 Electronic properties of 2D and 1D systems →Exercise 1: Tag: Visual edit
- 11:14, 1 April 2021 diff hist +180 Electronic properties of 2D and 1D systems
- 10:58, 1 April 2021 diff hist -123 Electronic properties of 2D and 1D systems →Input set-up for a low dimensional system:
- 10:58, 1 April 2021 diff hist 0 Electronic properties of 2D and 1D systems →Input set up for a low dimensional system:
- 10:58, 1 April 2021 diff hist +249 Electronic properties of 2D and 1D systems →Input set up for a low dimensional system:
- 10:56, 1 April 2021 diff hist -391 Electronic properties of 2D and 1D systems
- 10:52, 1 April 2021 diff hist +896 Electronic properties of 2D and 1D systems →Input set up for a low dimensional system:
- 10:50, 1 April 2021 diff hist +2 Electronic properties of 2D and 1D systems
- 10:47, 1 April 2021 diff hist +18 Electronic properties of 2D and 1D systems
- 10:45, 1 April 2021 diff hist +16 Electronic properties of 2D and 1D systems →Input set up for a low dimensional system:
- 10:44, 1 April 2021 diff hist -7 Electronic properties of 2D and 1D systems
- 10:43, 1 April 2021 diff hist +54 Electronic properties of 2D and 1D systems
- 10:41, 1 April 2021 diff hist +1 Electronic properties of 2D and 1D systems
- 10:41, 1 April 2021 diff hist +136 Electronic properties of 2D and 1D systems
- 10:39, 1 April 2021 diff hist 0 Electronic properties of 2D and 1D systems
- 10:39, 1 April 2021 diff hist +107 Electronic properties of 2D and 1D systems
- 10:38, 1 April 2021 diff hist 0 N File:Graphen.jpg current
- 10:37, 1 April 2021 diff hist -9 Electronic properties of 2D and 1D systems
- 10:37, 1 April 2021 diff hist +5 Electronic properties of isolated molecules current
- 10:36, 1 April 2021 diff hist +5 Non self-consistent calculations: Band structures and Density Of States current
- 10:36, 1 April 2021 diff hist +5 Structural and electronic properties of semiconductors and metals current
- 10:36, 1 April 2021 diff hist +3 Electronic properties of 2D and 1D systems
- 10:35, 1 April 2021 diff hist -1 Electronic properties of isolated molecules
- 10:34, 1 April 2021 diff hist -1 Non self-consistent calculations: Band structures and Density Of States
- 10:34, 1 April 2021 diff hist -1 Structural and electronic properties of semiconductors and metals
- 10:32, 1 April 2021 diff hist -1 Electronic properties of 2D and 1D systems
- 10:32, 1 April 2021 diff hist +102 N Electronic properties of 2D and 1D systems Created page with "none|500px|top| Prev:LabQSM#Lecture 2: DFT simulations of Molecules"
- 10:29, 1 April 2021 diff hist +88 LabQSM →Module 3: Low dimensional structures (6h)
- 10:24, 1 April 2021 diff hist 0 Solution LAB2 guanine 4 current
- 10:22, 1 April 2021 diff hist 0 N File:Pdos guanine.png current
- 10:22, 1 April 2021 diff hist +227 Solution LAB2 guanine 4
- 10:14, 1 April 2021 diff hist +360 Solution LAB2 guanine 4
- 10:04, 1 April 2021 diff hist +4 Solution LAB2 guanine 4
- 10:04, 1 April 2021 diff hist +2 Solution LAB2 guanine 4
- 10:04, 1 April 2021 diff hist +645 Solution LAB2 guanine 4
- 09:50, 1 April 2021 diff hist +1 LabQSM →Link to Selected Laboratories Tag: Visual edit: Switched
- 12:56, 25 March 2021 diff hist +341 Electronic properties of isolated molecules →Janak's theorem, Piece-wise Linearity, Ionization potential
- 23:08, 18 March 2021 diff hist +37 Electronic properties of isolated molecules →Exercise 5
- 23:08, 18 March 2021 diff hist +48 Electronic properties of isolated molecules →Exercise 1
- 23:07, 18 March 2021 diff hist 0 Solution LAB2 guanine 5 current
- 23:06, 18 March 2021 diff hist +1 Electronic properties of isolated molecules →Exercise 5
- 23:05, 18 March 2021 diff hist 0 Electronic properties of isolated molecules →Exercise 5
- 23:05, 18 March 2021 diff hist 0 Electronic properties of isolated molecules →Exercise 5
- 23:04, 18 March 2021 diff hist -6 Electronic properties of isolated molecules →Exercise 5
- 23:04, 18 March 2021 diff hist 0 N File:Combustion reaction of methane.jpg current
- 23:03, 18 March 2021 diff hist +62 Electronic properties of isolated molecules →Exercise 5
- 23:01, 18 March 2021 diff hist +51 Solution LAB2 guanine 5
- 22:59, 18 March 2021 diff hist 0 Solution LAB2 guanine 5
- 22:59, 18 March 2021 diff hist 0 Solution LAB2 guanine 5 Tag: Visual edit: Switched
- 22:59, 18 March 2021 diff hist 0 N File:Oxygen.png current
- 22:58, 18 March 2021 diff hist +31 Solution LAB2 guanine 5
- 22:58, 18 March 2021 diff hist +2 Solution LAB2 guanine 5
- 22:57, 18 March 2021 diff hist +276 Solution LAB2 guanine 5
- 22:56, 18 March 2021 diff hist +96 Solution LAB2 guanine 5
- 22:55, 18 March 2021 diff hist +207 N Solution LAB2 guanine 5 Created page with "* Back to the previous page: Electronic properties of isolated molecules#Exercise 5 *To relax reactants and products you can use a template file you can find in ./LAB_2/t..."
- 22:53, 18 March 2021 diff hist +37 Electronic properties of isolated molecules →Exercise 5
- 22:49, 18 March 2021 diff hist +6 Electronic properties of isolated molecules →Exercise 5
- 22:43, 18 March 2021 diff hist +219 Electronic properties of isolated molecules →Exercise 5
- 22:43, 18 March 2021 diff hist +1 Electronic properties of isolated molecules →Exercise 5
- 22:43, 18 March 2021 diff hist +120 Electronic properties of isolated molecules →Exercise 5
- 22:41, 18 March 2021 diff hist -36 Electronic properties of isolated molecules →Exercise 5
- 22:40, 18 March 2021 diff hist +12 Electronic properties of isolated molecules →Exercise 5
- 22:33, 18 March 2021 diff hist +69 Electronic properties of isolated molecules →Exercise 5
- 22:32, 18 March 2021 diff hist +3 Electronic properties of isolated molecules →Exercise 5
- 22:31, 18 March 2021 diff hist +128 Electronic properties of isolated molecules →Exercise 5
- 22:31, 18 March 2021 diff hist 0 Electronic properties of isolated molecules →Exercise 5
- 22:30, 18 March 2021 diff hist 0 N File:Combustion.png current
- 22:29, 18 March 2021 diff hist +92 Electronic properties of isolated molecules
- 22:28, 18 March 2021 diff hist +44 Electronic properties of isolated molecules →Exercise 4
- 22:27, 18 March 2021 diff hist +161 Electronic properties of isolated molecules →Exercise 4
- 22:27, 18 March 2021 diff hist +1 Solution LAB2 guanine 3
- 22:26, 18 March 2021 diff hist +1 Solution LAB2 guanine 2 current
- 22:26, 18 March 2021 diff hist +1 Solution LAB2 guanine
- 22:26, 18 March 2021 diff hist -3 Electronic properties of isolated molecules →Exercise 1
- 22:25, 18 March 2021 diff hist +73 Electronic properties of isolated molecules
- 22:23, 18 March 2021 diff hist +76 Solution LAB2 guanine 3
- 22:21, 18 March 2021 diff hist +53 Solution LAB2 guanine 3
- 22:18, 18 March 2021 diff hist +173 N Solution LAB2 guanine 3 Created page with "* Back to the previous page: Electronic properties of isolated molecules#Exercise3 When dealing with cation pay attention to tot_charge nspin tot_magnetization"
- 22:17, 18 March 2021 diff hist +37 Electronic properties of isolated molecules →Exercise3
- 22:16, 18 March 2021 diff hist +394 Electronic properties of isolated molecules
- 19:21, 18 March 2021 diff hist +64 Solution LAB2 guanine 2 →Step 4
- 19:20, 18 March 2021 diff hist +46 Solution LAB2 guanine 2 →Step 4
- 19:19, 18 March 2021 diff hist +107 Solution LAB2 guanine 2 →Step 4
- 19:18, 18 March 2021 diff hist +118 Solution LAB2 guanine 2 →Step 3
- 19:10, 18 March 2021 diff hist +308 Solution LAB2 guanine 2 →Step 3
- 19:08, 18 March 2021 diff hist +89 Solution LAB2 guanine 2 →Step 2
- 17:41, 18 March 2021 diff hist 0 File:Average v.png Daniele Varsano uploaded a new version of File:Average v.png current
- 17:37, 18 March 2021 diff hist +25 Solution LAB2 guanine 2 →Step 3
- 17:35, 18 March 2021 diff hist -11 Solution LAB2 guanine 2 →Step 3
- 17:33, 18 March 2021 diff hist +11 Solution LAB2 guanine 2 →Step 3
- 17:31, 18 March 2021 diff hist +28 N File:Average v.png
- 17:11, 18 March 2021 diff hist 0 File:Mt.png Daniele Varsano uploaded a new version of File:Mt.png current
- 17:10, 18 March 2021 diff hist +1 Solution LAB2 guanine 2 →Step 4
- 17:10, 18 March 2021 diff hist -8 Solution LAB2 guanine 2 →Step 4
- 17:10, 18 March 2021 diff hist +24 Solution LAB2 guanine 2 →Step 4 Tag: Visual edit
- 17:09, 18 March 2021 diff hist +13 N File:Mt.png
- 17:03, 18 March 2021 diff hist -4 Solution LAB2 guanine 2 →Step 4
- 17:03, 18 March 2021 diff hist -3 Solution LAB2 guanine 2 →Step 4
- 17:03, 18 March 2021 diff hist +406 Solution LAB2 guanine 2 →Step 4
- 17:00, 18 March 2021 diff hist +445 Solution LAB2 guanine 2
- 16:52, 18 March 2021 diff hist +1 Solution LAB2 guanine 2 →Step 2
- 16:52, 18 March 2021 diff hist +230 Solution LAB2 guanine 2 →Step 2
- 16:50, 18 March 2021 diff hist -1 Electronic properties of isolated molecules →Exercise2
- 16:37, 18 March 2021 diff hist +1 Solution LAB2 guanine 2 →Step 1
- 16:36, 18 March 2021 diff hist +105 Solution LAB2 guanine 2 →Step 1
- 16:35, 18 March 2021 diff hist +213 N Solution LAB2 guanine 2 Created page with "* Back to the previous page: Electronic properties of isolated molecules#Exercise2 ==Step 1== To calculate HOMO and LUMO level perform an scf and next an nscf calculatio..."
- 16:33, 18 March 2021 diff hist -33 Electronic properties of isolated molecules →Exercise2
- 16:29, 18 March 2021 diff hist +500 Electronic properties of isolated molecules →Exercises
- 16:27, 18 March 2021 diff hist -3 Electronic properties of isolated molecules →Exercise1
- 15:14, 18 March 2021 diff hist +76 Solution LAB2 guanine →Step 2
- 15:13, 18 March 2021 diff hist +503 Solution LAB2 guanine →Step 2
- 14:04, 18 March 2021 diff hist 0 Solution LAB2 guanine →Step 2
- 14:04, 18 March 2021 diff hist +94 Solution LAB2 guanine →Step 2
- 13:56, 18 March 2021 diff hist +455 Solution LAB2 guanine →Step 2
- 13:51, 18 March 2021 diff hist +109 Solution LAB2 guanine →Step 2
- 13:49, 18 March 2021 diff hist +139 Solution LAB2 guanine
- 13:48, 18 March 2021 diff hist +11 Solution LAB2 guanine
- 13:35, 18 March 2021 diff hist +18 Solution LAB2 guanine
- 13:28, 18 March 2021 diff hist +43 Solution LAB2 guanine
- 13:20, 18 March 2021 diff hist 0 Solution LAB2 guanine
- 13:20, 18 March 2021 diff hist +54 Solution LAB2 guanine
- 13:18, 18 March 2021 diff hist +127 Solution LAB2 guanine
- 13:16, 18 March 2021 diff hist +60 Solution LAB2 guanine
- 13:16, 18 March 2021 diff hist +19 Solution LAB2 guanine
- 13:13, 18 March 2021 diff hist +1 Solution LAB2 guanine
- 13:13, 18 March 2021 diff hist 0 Solution LAB2 guanine
- 13:13, 18 March 2021 diff hist +30 Solution LAB2 guanine
- 13:11, 18 March 2021 diff hist +58 Solution LAB2 guanine
- 13:10, 18 March 2021 diff hist +12 Solution LAB2 guanine
- 13:09, 18 March 2021 diff hist +1 Solution LAB2 guanine
- 13:09, 18 March 2021 diff hist +2 Solution LAB2 guanine
- 13:09, 18 March 2021 diff hist +144 Solution LAB2 guanine
- 13:05, 18 March 2021 diff hist +14 Solution LAB2 guanine
- 13:03, 18 March 2021 diff hist -1 Solution LAB2 guanine
- 13:03, 18 March 2021 diff hist +41 Solution LAB2 guanine
- 12:59, 18 March 2021 diff hist +109 N Solution LAB2 guanine Created page with "Once you have Avogadro installed, open it and let's use the molecular builder to visualise a Guanine molecule"
- 12:57, 18 March 2021 diff hist +38 Electronic properties of isolated molecules →Exercise1
- 12:55, 18 March 2021 diff hist 0 Electronic properties of isolated molecules →Exercise1
- 12:55, 18 March 2021 diff hist 0 Electronic properties of isolated molecules →Exercise1
- 12:55, 18 March 2021 diff hist +10 Electronic properties of isolated molecules →Exercise1
- 12:52, 18 March 2021 diff hist 0 N File:Guanine2.png current
- 12:51, 18 March 2021 diff hist 0 N File:Guanine1.png current
- 12:49, 18 March 2021 diff hist +56 Electronic properties of isolated molecules →Exercise1
- 12:37, 18 March 2021 diff hist -16 Electronic properties of isolated molecules
- 12:36, 18 March 2021 diff hist +4 Electronic properties of isolated molecules
- 12:35, 18 March 2021 diff hist +43 Electronic properties of isolated molecules
- 12:35, 18 March 2021 diff hist +24 Electronic properties of isolated molecules Tag: Visual edit: Switched
- 12:33, 18 March 2021 diff hist +340 N Electronic properties of isolated molecules Created page with " ===Exercise1=== '''Structural relaxation of the Guanine molecule''' *Use a molecular builder to find the initial molecular structure. (Avogadro) *Classical Force Field Rela..."
- 12:20, 18 March 2021 diff hist +1 Plotting and visualization tools →Avogadro
- 11:11, 18 March 2021 diff hist +49 LabQSM →Lecture 2: DFT simulations of Molecules
- 17:45, 16 December 2020 diff hist -5 Structural and electronic properties of semiconductors and metals →Exercise 9
- 15:28, 16 December 2020 diff hist +321 Non self-consistent calculations: Band structures and Density Of States →Examples and Exercises
- 11:36, 16 December 2020 diff hist +574 Solution LAB1 Al current
- 11:32, 16 December 2020 diff hist +16 Solution LAB1 Al
- 11:32, 16 December 2020 diff hist +113 Solution LAB1 Al
- 11:30, 16 December 2020 diff hist +26 N Solution LAB1 Al Created page with "thumb"
- 11:30, 16 December 2020 diff hist +14 N File:Al conv.png current
- 11:30, 16 December 2020 diff hist -3 Structural and electronic properties of semiconductors and metals →Exercise 9
- 11:29, 16 December 2020 diff hist +36 Structural and electronic properties of semiconductors and metals →Exercise 9
- 11:29, 16 December 2020 diff hist +96 Structural and electronic properties of semiconductors and metals →Exercise 9
- 11:28, 16 December 2020 diff hist +401 Structural and electronic properties of semiconductors and metals →Exercise 9
- 11:24, 16 December 2020 diff hist +14 Structural and electronic properties of semiconductors and metals →A metallic system: Aluminium
- 10:36, 16 December 2020 diff hist +60 Structural and electronic properties of semiconductors and metals →A metallic system: Aluminium
- 10:26, 16 December 2020 diff hist +64 Structural and electronic properties of semiconductors and metals →A metallic system: Aluminium
- 10:24, 16 December 2020 diff hist +508 Structural and electronic properties of semiconductors and metals →A metallic system: Aluminium
- 10:19, 16 December 2020 diff hist +94 Structural and electronic properties of semiconductors and metals Tag: Visual edit: Switched
- 10:19, 16 December 2020 diff hist +9 N File:Unnamed-4.jpg current
- 10:19, 16 December 2020 diff hist +8 N File:Unnamed-3.jpg current
- 15:20, 9 December 2020 diff hist +1 Structural and electronic properties of semiconductors and metals →Exercise 8
- 15:20, 9 December 2020 diff hist +117 Structural and electronic properties of semiconductors and metals →Structural Relaxation
- 14:43, 9 December 2020 diff hist +166 N Solution LAB1 relax Created page with "Results should look like: # ecut alat [Bohr] 40 6.4186936680 60 6.5707587960 80 6.62670408000 100 6.65135580000 120 6.65855306400" current
- 14:42, 9 December 2020 diff hist +36 Structural and electronic properties of semiconductors and metals →Exercise 7
- 14:38, 9 December 2020 diff hist +112 Structural and electronic properties of semiconductors and metals →Exercise 7
- 14:37, 9 December 2020 diff hist +3 Structural and electronic properties of semiconductors and metals →Exercise 7
- 14:36, 9 December 2020 diff hist +290 Structural and electronic properties of semiconductors and metals →Structural Relaxation
- 14:34, 9 December 2020 diff hist +1 Structural and electronic properties of semiconductors and metals →Structural Relaxation
- 14:34, 9 December 2020 diff hist +363 Structural and electronic properties of semiconductors and metals
- 14:31, 9 December 2020 diff hist +57 Structural and electronic properties of semiconductors and metals →Structural Relaxation
- 13:58, 9 December 2020 diff hist +248 Structural and electronic properties of semiconductors and metals →Structural Relaxation
- 13:55, 9 December 2020 diff hist +322 Structural and electronic properties of semiconductors and metals →Structural Relaxation
- 13:36, 9 December 2020 diff hist +444 Structural and electronic properties of semiconductors and metals →Structural Relaxation
- 13:30, 9 December 2020 diff hist +27 Structural and electronic properties of semiconductors and metals
- 15:02, 2 December 2020 diff hist +57 Solution 0 4 1
- 15:01, 2 December 2020 diff hist +29 Solution 0 4 1
- 14:55, 2 December 2020 diff hist -740 Scripting →Exercise 4
- 14:54, 2 December 2020 diff hist +739 Structural and electronic properties of semiconductors and metals →Output file description:
- 14:11, 2 December 2020 diff hist +1 Structural and electronic properties of semiconductors and metals →Output file description:
- 14:11, 2 December 2020 diff hist +78 Structural and electronic properties of semiconductors and metals →Output file description:
- 14:09, 2 December 2020 diff hist 0 Structural and electronic properties of semiconductors and metals →Output file description:
- 14:08, 2 December 2020 diff hist +13 Structural and electronic properties of semiconductors and metals →Output file description:
- 14:07, 2 December 2020 diff hist +9 Structural and electronic properties of semiconductors and metals →Output file description:
- 14:06, 2 December 2020 diff hist +28 Structural and electronic properties of semiconductors and metals →Output file description:
- 14:04, 2 December 2020 diff hist +1 Structural and electronic properties of semiconductors and metals →Output file description:
- 14:04, 2 December 2020 diff hist -8 Structural and electronic properties of semiconductors and metals →Output file description:
- 14:04, 2 December 2020 diff hist +9 Structural and electronic properties of semiconductors and metals →Output file description
- 14:01, 2 December 2020 diff hist +57 Structural and electronic properties of semiconductors and metals →Output file description
- 13:58, 2 December 2020 diff hist +73 Structural and electronic properties of semiconductors and metals →Output file description
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- 12:51, 1 December 2020 diff hist +24 LabQSM →Lecture 1: Basic DFT calculations and Convergences
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- 11:51, 1 December 2020 diff hist -248 Scripting →Exercise 4
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- 11:18, 1 December 2020 diff hist -187 Scripting →Exercise 1
- 11:18, 1 December 2020 diff hist +1 Scripting →Exercise 1
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- 14:28, 25 November 2020 diff hist +15 Plotting and visualization tools
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- 14:02, 25 November 2020 diff hist +18 Plotting and visualization tools →Xmgrace
- 13:51, 25 November 2020 diff hist +15 Plotting and visualization tools
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- 09:39, 25 November 2020 diff hist +39 LabQSM →Lecture 0: The Unix environment
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- 14:30, 24 November 2020 diff hist 0 Warming up with Unix commands →Getting Stearted
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- 10:57, 24 November 2020 diff hist +17 Warming up with Unix commands →Environment
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