User contributions for Rgarcia

23 October 2012

• 19:0919:09, 23 October 2012 diff hist −5 Núria López and Group →Setting up a calculation with VASP
• 19:0919:09, 23 October 2012 diff hist −42 INCAR →Ionic relaxation
• 19:0719:07, 23 October 2012 diff hist +17 INCAR →Electronic relaxation parameters
• 19:0619:06, 23 October 2012 diff hist +279 INCAR →Improving Parallelisation
• 19:0319:03, 23 October 2012 diff hist −4 INCAR →Files to write
• 19:0119:01, 23 October 2012 diff hist +111 INCAR →Electronic relaxation parameters
• 18:5718:57, 23 October 2012 diff hist +519 INCAR No edit summary
• 18:4218:42, 23 October 2012 diff hist +43 INCAR →Ionic relaxation
• 18:3418:34, 23 October 2012 diff hist +586 INCAR →Electronic relaxation parameters
• 18:2218:22, 23 October 2012 diff hist +510 INCAR No edit summary
• 18:0218:02, 23 October 2012 diff hist +763 INCAR No edit summary
• 17:4317:43, 23 October 2012 diff hist +252 INCAR No edit summary
• 17:0217:02, 23 October 2012 diff hist +288 INCAR →Thermodynamics (IBRION=5,6)
• 16:5816:58, 23 October 2012 diff hist +66 INCAR →Ionic movement parameters
• 16:5616:56, 23 October 2012 diff hist +117 INCAR →Damped MD and QUICKMIN (IBRION=3)
• 16:5416:54, 23 October 2012 diff hist +67 INCAR →Molecular Dynamics (MD) (IBRION=0)
• 16:5216:52, 23 October 2012 diff hist +45 INCAR No edit summary
• 16:5116:51, 23 October 2012 diff hist +2 INCAR →Damped MD and QUICKMIN (IBRION=3)
• 16:5116:51, 23 October 2012 diff hist +23 INCAR →Ionic relaxation
• 16:4916:49, 23 October 2012 diff hist +984 INCAR No edit summary
• 16:0216:02, 23 October 2012 diff hist +628 INCAR No edit summary
• 15:4115:41, 23 October 2012 diff hist +594 INCAR No edit summary
• 14:5714:57, 23 October 2012 diff hist +1 Group Pages No edit summary
• 14:5714:57, 23 October 2012 diff hist 0 m Núria López and Group Núria Lopez and Group moved to Núria López and Group
• 14:5514:55, 23 October 2012 diff hist +781 INCAR →Ionic relaxation
• 14:4414:44, 23 October 2012 diff hist −33 INCAR →Ionic relaxation parameters
• 14:3314:33, 23 October 2012 diff hist −14 INCAR →Types of ionic movement
• 14:3214:32, 23 October 2012 diff hist −11 INCAR No edit summary
• 14:3114:31, 23 October 2012 diff hist +136 INCAR No edit summary
• 14:1914:19, 23 October 2012 diff hist +584 N INCAR New page: By controling some parameters in the INCAR file, you can greatly increase the efficiency of your calculations. =Basic parameters= =Ionic relaxation parameters= ==Types of ionic movemen...
• 13:5113:51, 23 October 2012 diff hist +14 Núria López and Group →Setting up a calculation with VASP
• 13:5113:51, 23 October 2012 diff hist +21 Núria López and Group →Setting up a calculation with VASP
• 13:5013:50, 23 October 2012 diff hist +60 Núria López and Group →Setting up a calculation with VASP
• 13:4813:48, 23 October 2012 diff hist +4 Núria López and Group →Setting up a calculation with VASP
• 13:4813:48, 23 October 2012 diff hist +91 Núria López and Group →Setting up a calculation with VASP
• 13:4313:43, 23 October 2012 diff hist −2 Núria López and Group →Tools
• 13:4113:41, 23 October 2012 diff hist +1 Núria López and Group →Old structure
• 13:3913:39, 23 October 2012 diff hist +3,328 Núria López and Group No edit summary
• 13:2813:28, 23 October 2012 diff hist +8 Núria López and Group No edit summary
• 12:0812:08, 23 October 2012 diff hist +115 Núria López and Group No edit summary

10 July 2012

• 17:3317:33, 10 July 2012 diff hist +23 Generate figures No edit summary
• 17:3317:33, 10 July 2012 diff hist +6 Scripts for VASP →SCRIPTS: FORMAT CONVERSION
• 17:3217:32, 10 July 2012 diff hist −20 Generate figures No edit summary
• 17:3217:32, 10 July 2012 diff hist +11 Scripts for VASP →SCRIPTS: FORMAT CONVERSION
• 17:3017:30, 10 July 2012 diff hist 0 N File:Xcrysden.tgz No edit summary
• 17:2617:26, 10 July 2012 diff hist −2,330 Generate figures Replacing page with 'To map several molecules at once, put together the CONTCAR files (CONT*). Then use this scrip with xcrysden. xcrysden.tar.gz'
• 17:2217:22, 10 July 2012 diff hist +49 Generate figures No edit summary
• 17:2017:20, 10 July 2012 diff hist +2,409 N Generate figures New page: To map several molecules at once, put together the CONTCAR files (CONT*). Then use this script: ---- # # # # # # # # # # # # # # # # # # # # # # # Edited by Rodrigo García, July 10, 2...
• 17:1717:17, 10 July 2012 diff hist +84 Scripts for VASP →SCRIPTS: FILES VISUALIZATION
• 16:5816:58, 10 July 2012 diff hist +108 Scripts for VASP →SCRIPTS: FORMAT CONVERSION