User contributions for 10.0.7.29

7 December 2020

• 12:2912:29, 7 December 2020 diff hist +32 EXAFS →Pre-processing current

24 February 2020

• 17:5217:52, 24 February 2020 diff hist 0 Mount MareNostrum folders No edit summary current

17 February 2020

• 12:4712:47, 17 February 2020 diff hist +10 Lunch rand No edit summary current

31 January 2020

• 13:0413:04, 31 January 2020 diff hist +26 Lunch rand No edit summary
• 12:5912:59, 31 January 2020 diff hist −43 Lunch rand No edit summary
• 12:5912:59, 31 January 2020 diff hist 0 Lunch rand No edit summary
• 12:5812:58, 31 January 2020 diff hist +15 Lunch rand No edit summary
• 12:5812:58, 31 January 2020 diff hist +636 N Lunch rand New page: """In preparation""". Usage (written for python 3.5 and newer): This script will randomly decide where you should go for lunch: # copy following text to blank file named ""lunch_rand.sh"...
• 12:5312:53, 31 January 2020 diff hist +66 Núria López and Group →Useful Readings

30 January 2020

• 11:5711:57, 30 January 2020 diff hist +8 Núria López and Group →Non-technical procedures
• 11:5711:57, 30 January 2020 diff hist +21 Núria López and Group →Non-technical procedures
• 10:5310:53, 30 January 2020 diff hist +625 Command line rendering of chemical structures in Blender No edit summary current
• 10:3010:30, 30 January 2020 diff hist +48 Command line rendering of chemical structures in Blender →Preparing the blender scene

29 January 2020

• 20:5720:57, 29 January 2020 diff hist +45 Command line rendering of chemical structures in Blender No edit summary
• 20:5020:50, 29 January 2020 diff hist −3 Command line rendering of chemical structures in Blender No edit summary
• 20:4820:48, 29 January 2020 diff hist +657 Command line rendering of chemical structures in Blender No edit summary
• 20:3620:36, 29 January 2020 diff hist +1,227 Command line rendering of chemical structures in Blender No edit summary
• 20:1420:14, 29 January 2020 diff hist +873 Command line rendering of chemical structures in Blender No edit summary
• 19:5619:56, 29 January 2020 diff hist −113 Command line rendering of chemical structures in Blender No edit summary
• 19:5519:55, 29 January 2020 diff hist +70 Command line rendering of chemical structures in Blender No edit summary
• 19:4719:47, 29 January 2020 diff hist +283 Command line rendering of chemical structures in Blender No edit summary
• 19:3919:39, 29 January 2020 diff hist +49 Command line rendering of chemical structures in Blender No edit summary
• 19:3719:37, 29 January 2020 diff hist +13 Command line rendering of chemical structures in Blender No edit summary
• 19:3719:37, 29 January 2020 diff hist +15 Command line rendering of chemical structures in Blender No edit summary
• 19:3419:34, 29 January 2020 diff hist +27 Command line rendering of chemical structures in Blender No edit summary
• 19:3219:32, 29 January 2020 diff hist +141 Command line rendering of chemical structures in Blender No edit summary
• 19:2819:28, 29 January 2020 diff hist +1,124 Command line rendering of chemical structures in Blender No edit summary
• 19:2019:20, 29 January 2020 diff hist +391 Command line rendering of chemical structures in Blender No edit summary
• 19:0819:08, 29 January 2020 diff hist +33 Command line rendering of chemical structures in Blender No edit summary
• 19:0719:07, 29 January 2020 diff hist +36 Command line rendering of chemical structures in Blender No edit summary
• 19:0519:05, 29 January 2020 diff hist −12,114 Command line rendering of chemical structures in Blender No edit summary
• 19:0419:04, 29 January 2020 diff hist +224 Command line rendering of chemical structures in Blender No edit summary
• 19:0019:00, 29 January 2020 diff hist −6 Command line rendering of chemical structures in Blender No edit summary
• 18:5618:56, 29 January 2020 diff hist −1,612 Command line rendering of chemical structures in Blender No edit summary
• 18:4618:46, 29 January 2020 diff hist +14,455 N Command line rendering of chemical structures in Blender New page: go back to Main Page, Group Pages, Núria López and Group, Scripts_for_VASP in preparation: Here is a procedure on how to take a CONTCAR and convert it to high quality ...
• 18:4218:42, 29 January 2020 diff hist +65 Núria López and Group →Non-technical procedures

1 March 2019

• 17:0217:02, 1 March 2019 diff hist −216 XPS →Alternative workflow

27 February 2019

• 18:5618:56, 27 February 2019 diff hist −51 XPS No edit summary
• 18:5518:55, 27 February 2019 diff hist +124 XPS No edit summary
• 15:3815:38, 27 February 2019 diff hist +3 XPS →General workflow
• 15:3815:38, 27 February 2019 diff hist +9 Núria López and Group →Procedures
• 15:3715:37, 27 February 2019 diff hist +64 Scripts for VASP No edit summary

26 February 2019

• 15:4915:49, 26 February 2019 diff hist +67 Curls No edit summary current

25 February 2019

• 11:4511:45, 25 February 2019 diff hist −2 XPS →General workflow

22 February 2019

• 17:1717:17, 22 February 2019 diff hist +336 XPS No edit summary
• 17:1117:11, 22 February 2019 diff hist +110 XPS →General workflow
• 16:0416:04, 22 February 2019 diff hist −9 XPS →General workflow
• 16:0416:04, 22 February 2019 diff hist +153 XPS No edit summary
• 15:5915:59, 22 February 2019 diff hist +256 XPS →General workflow
• 15:5715:57, 22 February 2019 diff hist +967 N XPS New page: ==General workflow== in preparation (currently just a sketch) * For a convergeed structure select a single atom for which the core levels shifts will be calculated (link to gli script t...