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7 August 2025
- 10:0210:02, 7 August 2025 Salsa per calçots (hist | edit) [2,033 bytes] 10.11.1.64 (talk) (New page: '''ENRIC IBÁÑEZ RECIPE''' • 10 tomatoes, 8-9 of them cooked in the oven and the rest peeled but fresh. • 200g of toasted peeled almond (you can toast it yourself with a pan). • ...)
9 May 2025
- 10:5210:52, 9 May 2025 Income Tax (hist | edit) [705 bytes] 10.11.1.64 (talk) (New page: - The income tax declaration is done for the previous year. It's done online here: https://sede.agenciatributaria.gob.es/static_files/en_gb/common/html/selector_acceso/SelectorAccesos.htm...)
11 March 2025
- 14:5314:53, 11 March 2025 The Morandi-Loveday method (hist | edit) [174 bytes] 10.0.7.7 (talk) (New page: Breaking things is simpler than building them. This empirical principle is at the core of the algorithm used to automatically listing elementary reactions in CARE. Read CARE.)
26 January 2023
- 16:5616:56, 26 January 2023 Video-Conference System (hist | edit) [413 bytes] Mante (talk | contribs) (New page: == Video-Conference System ==)
3 October 2022
- 15:1415:14, 3 October 2022 Rendering (hist | edit) [422 bytes] 10.0.7.22 (talk) (New page: go back to Main Page, Computational Resources There are different rendering softwares installed (or not installed but available) on personal computers. There are pros and cons for...)
27 September 2022
- 11:1511:15, 27 September 2022 VS Code (hist | edit) [978 bytes] Jgeiger (talk | contribs) (New page: VS Code is a popular code editor, and "Integrated Development Environment" (IDE). Despite being maintained by Microsoft, it is free and open source (https://github.com/microsoft/vscode). I...)
- 11:1011:10, 27 September 2022 Code Editors (hist | edit) [88 bytes] Jgeiger (talk | contribs) (New page: go back to Main Page, Computational Resources, Code Editors VS Code is a popular code editor, and "Integrated Development Environment" (IDE). Despite being maintained by Micro...)
- 10:5210:52, 27 September 2022 Backup strategies (hist | edit) [1,247 bytes] 10.0.7.22 (talk) (New page: Backing up data regularly is one of the most important maintainence task for a computational researcher. The data can be lost accidentally (by pressing rm -r *) or by no mistake of yours (...)
3 March 2022
- 13:3713:37, 3 March 2022 Acknowledgements (hist | edit) [435 bytes] Núria V (talk | contribs) (New page: '''Acknowledgments''' Check "Group pages" ---> Your group)
2 January 2022
- 10:1910:19, 2 January 2022 Atomic Simulation Environment (ASE) (hist | edit) [2,261 bytes] Rseemakurthi (talk | contribs) (New page: go back to Main Page, Computational Resources, GUIS ASE is a visualization software similar to p4vasp. It is fairly easy to use with good integration with python, and is espec...)
13 October 2021
- 16:2416:24, 13 October 2021 Tips for running xtb calculations (hist | edit) [2,939 bytes] Rperez (talk | contribs) (New page: == QUEUES FOR XTB CALCULATIONS == The available queues for XTB 6.2.3 are: c36m128 c28m128 c24m128 c20m48 c12m24 cq4m4 == EXAMPLE SUBMIT SCRIPT == ##############################...)
- 10:0510:05, 13 October 2021 Steps in case tekla2 fails (hist | edit) [341 bytes] 10.0.7.7 (talk) (New page: '''Page in preparation''')
13 September 2021
- 16:0816:08, 13 September 2021 Linux for beginers (hist | edit) [712 bytes] Rgarcia (talk | contribs) (New page: Tips_to_work_remotely_from_Windows)
- 15:2015:20, 13 September 2021 Nfreq (hist | edit) [2,307 bytes] Rgarcia (talk | contribs) (New page: go back to Main Page, Group Pages, Núria López and Group, Scripts_for_VASP, VASP beginners)
- 14:1914:19, 13 September 2021 Your first project (hist | edit) [2,913 bytes] Rgarcia (talk | contribs) (New page: go back to Main Page, Group Pages, Núria López and Group, * Make sure you master all the VASP for beginners. STATE-OF-THE-ART DETAIL...)
- 13:5013:50, 13 September 2021 Run.sh (hist | edit) [743 bytes] Rgarcia (talk | contribs) (New page: go back to Main Page, Group Pages, Núria López and Group, Scripts_for_VASP, rungen This is an example of a '''run.sh''' file to run a VASP calculation in tekla2. Yo...)
15 March 2021
- 10:3910:39, 15 March 2021 Qrobot (hist | edit) [67 bytes] 10.0.7.16 (talk) (New page: The Qrobot is on tekla in <nowiki> /home/qli/bin/Q_robot </nowiki>)
18 April 2020
- 10:0510:05, 18 April 2020 Self-consistent U determination (hist | edit) [1,215 bytes] 10.3.1.5 (talk) (New page: ==Determining the U parameter by a linear response approach== The Hubbard U parameter can be determined self-consistently by applying first order density functional perturbation theory (i...)
20 March 2020
- 19:2519:25, 20 March 2020 Tips to work remotely from Windows (hist | edit) [3,868 bytes] Rgarcia (talk | contribs) (New page: go back to Main Page, Group Pages, Carles Bo and Group, Núria López and Group, Scripts_for_VASP =Why and who?= This intends to be a small quickstart guide for facil...)
19 February 2020
- 18:2818:28, 19 February 2020 Reply to reviewers (hist | edit) [1,498 bytes] 10.0.7.25 (talk) (New page: go back to Main Page, Group Pages, Núria López and Group, Scripts_for_VASP Writing rebuttal letters can be a difficult task. To ease your journey follow these steps: *...)
11 February 2020
- 18:5318:53, 11 February 2020 Overleaf (hist | edit) [907 bytes] 10.0.7.22 (talk) (New page: The free version of Overleaf does not allow to share the project with many users, therefore I created a user account and group email address. * The Username is: theohetcat@gmail.com * ...)
- 18:3518:35, 11 February 2020 Workfunctions (hist | edit) [2,356 bytes] 10.0.7.22 (talk) (New page: There is a script written in Python to convert LOCPOT for visualization. The source of this script is from Github [https://github.com/compphys/ase_tools/blob/master/scripts/vtotav.py] I...)
31 January 2020
- 12:5812:58, 31 January 2020 Lunch rand (hist | edit) [644 bytes] 10.0.7.29 (talk) (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"...)
29 January 2020
- 18:4618:46, 29 January 2020 Command line rendering of chemical structures in Blender (hist | edit) [6,488 bytes] 10.0.7.29 (talk) (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 ...)
10 December 2019
- 15:3715:37, 10 December 2019 STM calculation with VASP (hist | edit) [535 bytes] Bob (talk | contribs) (New page: First you need to have your geometry and DOS calculations done. Once that is done you need to generate a PARCHG file. This is done by adding this into the INCAR: partial charge densities...)
31 October 2019
- 12:1312:13, 31 October 2019 ICSD (hist | edit) [224 bytes] 10.0.7.17 (talk) (New page: Database for downloading crystal structures: https://icsd.fiz-karlsruhe.de/ For username and password ask some of group members.)
29 October 2019
- 12:1912:19, 29 October 2019 Colour codes (hist | edit) [1,188 bytes] Rgarcia (talk | contribs) (New page: go back to Main Page, Group Pages, Núria López and Group, Scripts_for_VASP === For Origin plots === Always prefer warm colours over cold ones. In Origin, please use W...)
17 October 2019
- 09:4009:40, 17 October 2019 Workaholic (hist | edit) [2,541 bytes] Bob (talk | contribs) (New page: '''Workaholic''' noun uk/ˌwɜː.kəˈhɒl.ɪk/ us/ˌwɝː.kəˈhɑː.lɪk/ -A person who works a lot of the time and finds it difficult not to work. -A person who feels compelled to wo...)
7 August 2019
- 14:4814:48, 7 August 2019 Pos2pot.py (hist | edit) [3,458 bytes] Kkarajovic (talk | contribs) (New page: #!/usr/bin/env python ################################################################################# # # # Read your POSCAR and generate POTCAR with pseudopote...)
- 14:3314:33, 7 August 2019 Potgenpbe5.3 (hist | edit) [1,866 bytes] Kkarajovic (talk | contribs) (New page: #!/bin/bash # Create a GGA_PAW POTCAR file by concatenation of POTCAR files # D.K. version 2010-07-08 TGN # Define local potpaw_GGA pseudopotential repository: repo="/home/oldhome/nlopez/...)
- 14:3314:33, 7 August 2019 Pos2pot (hist | edit) [550 bytes] Kkarajovic (talk | contribs) (New page: go back to Main Page, Group Pages, Scripts_for_VASP This script reads your POSCAR and generates POTCAR with pseudopotentials recommended by VASP which are on the page: [https:...)
4 August 2019
- 11:2611:26, 4 August 2019 PhD Thesis (hist | edit) [1,278 bytes] Fraenzine (talk | contribs) (New page: = Important Documents = Read this document before you submit your thesis: Thesis Guidelines (2019) And do not rely on the website, it is sometim...)
2 August 2019
- 11:1911:19, 2 August 2019 Talks and Posters (hist | edit) [237 bytes] Fraenzine (talk | contribs) (New page: =Presentations from group members= * Introduction of Theoretical Heterogeneous Catalysis group to Summer Fellows - August 2019 (''by Franziska''): ''pdf'' [[Media:SummerFellowsMeeting_02...)
- 11:1011:10, 2 August 2019 Talks and posters (hist | edit) [237 bytes] Fraenzine (talk | contribs) (New page: =Presentations from group members= * Introduction of Theoretical Heterogeneous Catalysis group to Summer Fellows - August 2019 (''by Franziska''): ''pdf'' [[SummerFellowsMeeting_02-08-20...)
4 July 2019
- 09:1809:18, 4 July 2019 Settlement of expenses at ICIQ- 2019 (hist | edit) [439 bytes] Kkarajovic (talk | contribs) (New page: English: [http://aliga.iciq.es/wiki/index.php/Image:PGRAL-001_Settlement_of_expenses_%2802.05.2019%29_Signed.pdf])
3 July 2019
- 19:4619:46, 3 July 2019 Settlement of expenses at ICIQ- version 2019 (hist | edit) [180 bytes] Kkarajovic (talk | contribs) (New page: [PGRAL-001 Settlement of expenses (02.05.2019) Signed] [PGRAL-001 Liquidació de despeses - català (07.05.2019) Signed] [PGRAL-001 Liquidación de gastos (02.05.2019) Signed])
- 19:4019:40, 3 July 2019 Settlement of expenses at ICIQ- version 09 (hist | edit) [40 bytes] Kkarajovic (talk | contribs) (New page: Here you can find it in three languages:)
2 July 2019
- 12:5012:50, 2 July 2019 Hybrid functionals (hist | edit) [3,186 bytes] Fraenzine (talk | contribs) (New page: go back to Main Page, Group Pages, Núria López and Group This page is under edition, it may not make sense yet :) (feel free to ask, if you have questions) =Hybrid function...)
6 May 2019
- 10:5010:50, 6 May 2019 NV working hours for Núria López's group (hist | edit) [215 bytes] Kkarajovic (talk | contribs) (New page: The schedule of Núria Vendrell for NL group: Mondays until 12:00. Travel agency 9:00-10:00 only. Tuesdays after 12:00. Thursdays all day.)
- 08:5308:53, 6 May 2019 NV working hours for Núria López group (hist | edit) [53 bytes] 10.0.7.25 (talk) (New page: go back to Main Page, Núria López and Group The schedule of Núria Vendrell for NL group: Mondays until 12:00. Travel agency 9:00-10:00 only. Tuesdays after 12:00. Thursday...) originally created as "NV working hours for Núria Lopez' group"
15 April 2019
- 13:1813:18, 15 April 2019 Spirituality (hist | edit) [465 bytes] 10.0.7.16 (talk) (New page: ''"Science without religion is lame, religion without science is blind."'' - Albert Einstein * The Whatsapp group of the lab is called '''La secta de Pizza Hugo'''. How to join it? Who kn...)
14 March 2019
- 15:0115:01, 14 March 2019 Pourbaix diagram (hist | edit) [2,406 bytes] Ben (talk | contribs) (New page: == The traditional method to plot a Pourbaix diagram: == Here is the link of wikipedia explains what is Pourbaix diagram and how to make it. https://en.wikipedia.org/wiki/Pourbaix_diagr...)
13 March 2019
- 16:2516:25, 13 March 2019 Courses (hist | edit) [251 bytes] Slopez (talk | contribs) (New page: Offer of courses from the Institut de Ciències de l'Educació (ICE) and the Unitat de Doctorat i Recerca (UDR) [https://www.ice.urv.cat/moduls/doctorand/cursos.php])
- 16:2216:22, 13 March 2019 Sick Leaves (hist | edit) [880 bytes] Slopez (talk | contribs) (New page: We inform you that ICIQ, in application of the Fifty-Fourth Additional Provision of Law 6/2018 of July 3, is complementing the economic benefit of temporary disability (due to illness or ...)
11 March 2019
- 16:1816:18, 11 March 2019 NV working hours for Núria Lopez' gourp (hist | edit) [44 bytes] Kkarajovic (talk | contribs) (New page: The schedule of Núria Vendrell for NL group: Monday, till lunch time Travel agency 9-10 only Tuesday, after lunch time Thrusday whole day.)
28 February 2019
- 12:4212:42, 28 February 2019 Feff (hist | edit) [1,626 bytes] Rgarcia (talk | contribs) (New page: go back to Main Page, Group Pages, Núria López and Group, Scripts_for_VASP, Computational Resources, EXAFS feff8l git: https://github.com/xraypy/feff85exafs f...)
27 February 2019
- 17:1717:17, 27 February 2019 Know-how in the group (hist | edit) [274 bytes] 10.0.7.126 (talk) (New page: go back to Main Page, Núria López and Group this page keeps track of the know-how in the Group. If you need help with a certain subject/project, search here on this Wiki or go a...)
- 16:1816:18, 27 February 2019 Who's in charge of what (hist | edit) [1,030 bytes] 10.0.7.126 (talk) (New page: go back to Main Page, Núria López and Group =Wiki= Konstantin Karajovic =Group Seminars= Dr. Marcos Rellan acts as chairman and moderator. =MareNostrum= =Outreach activities=...)
22 February 2019
- 15:5715:57, 22 February 2019 XPS (hist | edit) [2,404 bytes] 10.0.7.29 (talk) (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...)