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- 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