User contributions for Rgarcia

Results for Rgarcia talk block log uploads logs

A user with 569 edits. Account created on 9 July 2012.

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17:1017:10, 15 March 2017 diff hist 0 m Generate figures →2. Script preparation

12:1212:12, 22 February 2017 diff hist 0 m INCAR →Electronic relaxation parameters
12:1012:10, 22 February 2017 diff hist +61 INCAR →Transition state optimization (IBRION=44)

15:2215:22, 1 December 2016 diff hist −50 m Scripts for VASP →Other applications

13:5913:59, 14 September 2016 diff hist −81 m Núria López and Group →Procedures
12:1112:11, 14 September 2016 diff hist +5,394 N Managing large reaction networks First draft
11:0611:06, 14 September 2016 diff hist −31 m Núria López and Group →Procedures
11:0411:04, 14 September 2016 diff hist −3 m Birch-Murnaghan fitting Small typos corrected. Franzis did a great job here :)

11:2611:26, 15 April 2016 diff hist +2 m Scripts for VASP →Other applications
11:2611:26, 15 April 2016 diff hist −6 m Mount MareNostrum folders No edit summary

14:0214:02, 22 July 2015 diff hist −15 Núria López and Group →Procedures
14:0014:00, 22 July 2015 diff hist −7 Núria López and Group No edit summary
13:5013:50, 22 July 2015 diff hist +67 Núria López and Group →Physical Properties
13:4913:49, 22 July 2015 diff hist +50 Núria López and Group →Procedures
11:3911:39, 22 July 2015 diff hist +8 Núria López and Group →Tools
11:3811:38, 22 July 2015 diff hist +4 Núria López and Group →Physical Properties
11:3111:31, 22 July 2015 diff hist +50 m Núria López and Group →Other Materials
11:2611:26, 22 July 2015 diff hist −4 Núria López and Group →Procedures

12:0712:07, 30 April 2015 diff hist +80 m Generate figures →3. Printing and post-processing

10:4710:47, 14 April 2015 diff hist 0 m INCAR →What to do when experiencing convergence problems

12:0112:01, 9 March 2015 diff hist +55 IDM →Script and Executable

17:0517:05, 20 November 2014 diff hist −16 m Scripts for VASP →Other applications
17:0417:04, 20 November 2014 diff hist −68 m Scripts for VASP →Format conversion
17:0217:02, 20 November 2014 diff hist −4 m Nfreq-luca No edit summary
17:0217:02, 20 November 2014 diff hist 0 m Nfreq-luca →INSTALLATION STEPS
17:0217:02, 20 November 2014 diff hist +54 m Nfreq-luca →INSTALLATION STEPS
16:4416:44, 20 November 2014 diff hist +20 m Batch dehydrogenation No edit summary
16:4316:43, 20 November 2014 diff hist −1 m Batch dehydrogenation No edit summary
16:4316:43, 20 November 2014 diff hist +13 m Batch dehydrogenation No edit summary
16:4216:42, 20 November 2014 diff hist 0 N File:Breaker.tgz No edit summary current
16:4216:42, 20 November 2014 diff hist +16 m Batch dehydrogenation No edit summary
16:4116:41, 20 November 2014 diff hist +691 N Batch dehydrogenation New page: This program removes one atom from a molecular chain, elongating a bond to make the initial guess of a transition state. It is specially thinked for dehydrogenation reactions. This program...
16:3616:36, 20 November 2014 diff hist +79 Scripts for VASP →Other applications

13:0513:05, 18 November 2014 diff hist +20 m IDM →Instructions
12:4912:49, 18 November 2014 diff hist −2 m IDM →Script and Executable
12:4912:49, 18 November 2014 diff hist 0 m IDM →Script and Executable
12:4712:47, 18 November 2014 diff hist +6 m IDM →Script and Executable
12:4712:47, 18 November 2014 diff hist −6 m IDM →Script and Executable
12:4412:44, 18 November 2014 diff hist +220 N File:Dimerdiag.tgz To use with the script "getdimer" It takes the Hessian matrix from an OUTCAR file, symmetrized it, and diagonalizes it without doing the mass-weighting procedure. Source code included. It requires LaPack to be compiled. current
12:3512:35, 18 November 2014 diff hist +6 m IDM No edit summary
12:3212:32, 18 November 2014 diff hist +208 m IDM No edit summary
12:3012:30, 18 November 2014 diff hist +253 m IDM →Script
12:2612:26, 18 November 2014 diff hist 0 m IDM →Script

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