User contributions for 10.0.7.25

2 March 2020

• 13:0913:09, 2 March 2020 diff hist +37 Nice termination space added current

19 February 2020

• 18:2918:29, 19 February 2020 diff hist −1 Reply to reviewers No edit summary current
• 18:2818:28, 19 February 2020 diff hist +1,499 N Reply to reviewers 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: *...

29 October 2019

• 12:0412:04, 29 October 2019 diff hist +18 Núria López and Group →Group Guidelines

6 May 2019

• 08:5308:53, 6 May 2019 diff hist +198 N NV working hours for Núria López group 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...
• 08:5308:53, 6 May 2019 diff hist 0 Núria López and Group →Group Guidelines

15 February 2019

• 18:2918:29, 15 February 2019 diff hist +94 Managing large reaction networks No edit summary
• 18:2818:28, 15 February 2019 diff hist +1,477 N Bibtex New page: For the future. Each time you copy-paste a bibtex entry into your bibliography file, format it in real time: * The entry should be like this: surname19. Use the surname of the first autho...
• 18:2818:28, 15 February 2019 diff hist +30 Núria López and Group →Procedures

16 November 2018

• 10:1210:12, 16 November 2018 diff hist −1 EXAFS →Post-processing

16 October 2018

• 14:5614:56, 16 October 2018 diff hist +165 Generate figures →2. Script preparation

20 November 2017

• 17:2017:20, 20 November 2017 diff hist 0 Scripts for VASP →Generate a run file

10 November 2017

• 14:5814:58, 10 November 2017 diff hist +166 Generate figures →2. Script preparation

1 September 2017

• 10:3910:39, 1 September 2017 diff hist +335 Generate figures →2. Script preparation: Tessellation factor added

6 July 2017

• 11:4211:42, 6 July 2017 diff hist +57 INCAR →What to do when experiencing convergence problems
• 11:4211:42, 6 July 2017 diff hist −9 INCAR →What to do when experiencing convergence problems

22 February 2017

• 12:0812:08, 22 February 2017 diff hist +509 INCAR →Transition state optimization (IBRION=44)

21 February 2017

• 10:4510:45, 21 February 2017 diff hist +95 N Microkinetic model New page: go back to Main Page, Group Pages, Núria López and Group =Preparing the input=
• 10:4110:41, 21 February 2017 diff hist −30 Núria López and Group →Procedures

1 December 2016

• 15:2015:20, 1 December 2016 diff hist +50 Scripts for VASP →Other applications

30 August 2016

• 10:5410:54, 30 August 2016 diff hist +59 Generate figures →2. Script preparation

4 July 2016

• 10:4810:48, 4 July 2016 diff hist +8 Generate figures →2. Script preparation
• 10:4610:46, 4 July 2016 diff hist +2,519 Generate figures →2. Script preparation

12 February 2016

• 13:1013:10, 12 February 2016 diff hist −69 Scripts →Useful scripts

31 March 2015

• 09:5809:58, 31 March 2015 diff hist −2 Group Pages No edit summary

27 February 2015

• 16:3316:33, 27 February 2015 diff hist −4 Generate figures →3. Printing and post-processing
• 16:3216:32, 27 February 2015 diff hist +71 Generate figures →3. Printing and post-processing

15 July 2014

• 11:5311:53, 15 July 2014 diff hist +40 Generate figures →2. Script preparation
• 11:5011:50, 15 July 2014 diff hist +183 Generate figures →2. Script preparation

20 May 2014

• 15:3215:32, 20 May 2014 diff hist +1 Generate figures →2. Script preparation

12 May 2014

• 09:5009:50, 12 May 2014 diff hist +25 INCAR →Speeding up with NSIM

8 April 2014

• 10:5710:57, 8 April 2014 diff hist −94 Intensities.sh →DESCRIPTION current

27 March 2014

• 16:1016:10, 27 March 2014 diff hist 0 INCAR →What to do when experiencing convergence problems

6 February 2014

• 15:3715:37, 6 February 2014 diff hist +102 INCAR →Ionic relaxation
• 11:4711:47, 6 February 2014 diff hist −38 INCAR →Transition state optimization (IBRION=44)

14 October 2013

• 14:0414:04, 14 October 2013 diff hist +296 INCAR →Improving Parallelisation

16 September 2013

• 09:1809:18, 16 September 2013 diff hist +192 Generate figures →3. Printing and post-processing
• 08:5808:58, 16 September 2013 diff hist +83 Generate figures →2. Script preparation

9 August 2013

• 15:3715:37, 9 August 2013 diff hist −2 Nfreq-luca →INSTALLATION STEPS
• 15:3715:37, 9 August 2013 diff hist +148 Nfreq-luca →INSTALLATION STEPS
• 15:2015:20, 9 August 2013 diff hist −29 Resurrection script →Setting up the calculation current

24 April 2013

• 12:0912:09, 24 April 2013 diff hist −3 Núria López and Group →Useful Readings

12 December 2012

• 10:4010:40, 12 December 2012 diff hist −54 INCAR →Mixing scheme
• 10:4010:40, 12 December 2012 diff hist +267 INCAR No edit summary
• 10:3410:34, 12 December 2012 diff hist +43 INCAR →Speeding up with NSIM

9 June 2011

• 17:0417:04, 9 June 2011 diff hist +75 Pictures No edit summary

3 June 2011

• 15:2915:29, 3 June 2011 diff hist +59 Energies No edit summary current
• 15:2615:26, 3 June 2011 diff hist −52 Energies No edit summary

18 May 2011

• 12:1812:18, 18 May 2011 diff hist 0 Chemistry Links No edit summary
• 12:1812:18, 18 May 2011 diff hist +174 Chemistry Links No edit summary