User contributions for Rgarcia
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31 October 2018
- 14:4114:41, 31 October 2018 diff hist +233 m EXAFS →Post-processing
- 14:3914:39, 31 October 2018 diff hist +1 m EXAFS No edit summary
- 14:3814:38, 31 October 2018 diff hist +846 EXAFS No edit summary
- 14:3114:31, 31 October 2018 diff hist +121 Nm EXAFS New page: go back to Main Page, Group Pages, Núria López and Group, Scripts_for_VASP, Computational Resources
- 13:0013:00, 31 October 2018 diff hist +95 m IBRION=3 bulk optimization No edit summary
- 13:0013:00, 31 October 2018 diff hist +23 m Birch-Murnaghan fitting No edit summary current
- 12:5912:59, 31 October 2018 diff hist +60 Núria López and Group →Procedures
- 12:5812:58, 31 October 2018 diff hist +4 m Núria López and Group →Procedures
- 12:5612:56, 31 October 2018 diff hist −1 m Núria López and Group →Procedures
- 12:5512:55, 31 October 2018 diff hist −14 m Núria López and Group →Setting up a calculation with CPMD
- 12:5512:55, 31 October 2018 diff hist −27 Núria López and Group No edit summary
16 October 2018
8 March 2018
- 17:3117:31, 8 March 2018 diff hist +500 m Generate figures →2. Script preparation
- 16:4616:46, 8 March 2018 diff hist 0 m Generate figures No edit summary
7 March 2018
- 16:1816:18, 7 March 2018 diff hist 0 m INCAR →NPAR
- 16:1716:17, 7 March 2018 diff hist +232 INCAR →NPAR
- 16:0516:05, 7 March 2018 diff hist +8 m INCAR →NPAR
- 16:0416:04, 7 March 2018 diff hist +29 m INCAR →Electronic relaxation
- 16:0216:02, 7 March 2018 diff hist 0 m INCAR →Electronic relaxation
- 16:0216:02, 7 March 2018 diff hist −10 m INCAR →Electronic relaxation parameters
- 16:0116:01, 7 March 2018 diff hist +257 m INCAR →Advanced parallelization
- 15:5915:59, 7 March 2018 diff hist +94 INCAR No edit summary
- 15:5715:57, 7 March 2018 diff hist +210 INCAR No edit summary
- 15:4215:42, 7 March 2018 diff hist +173 INCAR →Improving Parallelisation
20 November 2017
- 17:2117:21, 20 November 2017 diff hist +1 m Scripts for VASP →Generate a run file
- 17:2017:20, 20 November 2017 diff hist +25 m Scripts for VASP →Generate a run file
17 November 2017
- 16:4616:46, 17 November 2017 diff hist +115 m Rungen →Instructions
- 16:4316:43, 17 November 2017 diff hist +169 m Rungen →Instructions
- 16:2516:25, 17 November 2017 diff hist −23 m Rungen →rungen
- 16:2516:25, 17 November 2017 diff hist +2,082 Rungen →rungen
- 16:1416:14, 17 November 2017 diff hist +21 m INCAR No edit summary
- 15:4015:40, 17 November 2017 diff hist +42 m INCAR →What to do when experiencing convergence problems
- 13:2013:20, 17 November 2017 diff hist −2 m Cif2vasp.py No edit summary current
- 13:1913:19, 17 November 2017 diff hist +1,439 N Posutil d2c New page: go back to Main Page, Group Pages, Núria López and Group, Scripts_for_VASP Converts a POSCAR from direct to cartesian coordinates, format: VASP 5.x. =Instructions= * ... current
- 13:1313:13, 17 November 2017 diff hist +36 m Scripts for VASP →Format conversion
- 13:1013:10, 17 November 2017 diff hist +21,965 N Cif2vasp.py New page: go back to Main Page, Group Pages, Núria López and Group, Scripts_for_VASP This script converts .cif files into VASP 4.x POSCAR FILES Taken from here [[https://github.co...
- 13:0713:07, 17 November 2017 diff hist +22 m Database bulk to surface builder No edit summary current
- 13:0213:02, 17 November 2017 diff hist +68 m Scripts for VASP →Format conversion
- 12:4912:49, 17 November 2017 diff hist +28 m Núria López and Group No edit summary
- 12:4812:48, 17 November 2017 diff hist +94 m Scripts for QE No edit summary
- 12:4812:48, 17 November 2017 diff hist +94 m Scripts for CPMD No edit summary current
- 12:4712:47, 17 November 2017 diff hist +94 m Managing large reaction networks No edit summary
- 12:4712:47, 17 November 2017 diff hist +94 m VASP-MGCM (solvation module) No edit summary
- 12:4612:46, 17 November 2017 diff hist +22 m Microkinetic model No edit summary
- 12:4612:46, 17 November 2017 diff hist +29 m Núria López and Group →Procedures
- 12:4612:46, 17 November 2017 diff hist +1 m Database bulk to surface builder No edit summary
- 12:4212:42, 17 November 2017 diff hist +141 m Núria López and Group →Procedures
- 12:3812:38, 17 November 2017 diff hist +22 m Núria López and Group No edit summary
28 April 2017
- 09:4109:41, 28 April 2017 diff hist +155 Aliga shared folders No edit summary current