New pages

22 May 2013

• 09:0809:08, 22 May 2013 Lync (hist | edit) [404 bytes] Núria V (talk | contribs) (New page: Lync is a messagin (Messenger-like) program that allows communication (written or calls/video calls) among ICIQ personnel. Linux users can use the online version (Maria & I have tried it a...)

21 May 2013

• 17:0017:00, 21 May 2013 Resurrection script (hist | edit) [5,459 bytes] Rgarcia (talk | contribs) (New page: == Setting up the calculation== In order to use them properly, put the three script into your ~/bin/ folder in MareNostrum. == Script 1: resurrection == #!/bin/bash # Rodrigo Garcí...)
• 15:5815:58, 21 May 2013 Savecalc (hist | edit) [1,218 bytes] Rgarcia (talk | contribs) (New page: go back to Main Page, Group Pages, Núria López and Group, Scripts_for_VASP #!/bin/bash if [ -e STOPCAR ] ; then rm STOPCAR ; fi # security comprobation if [ -...)
• 15:4115:41, 21 May 2013 Rungen (hist | edit) [7,326 bytes] Rgarcia (talk | contribs) (New page: #!/bin/bash ########################################## # Rodrigo García-Muelas @ iciq-Tgn # # Created: Jan 11, 2013 # # Edit 1 : Apr 06, 2013 ...)
• 15:3715:37, 21 May 2013 Vasp-mn.s (hist | edit) [774 bytes] Rgarcia (talk | contribs) (New page: go back to Main Page, Group Pages, Núria_López_and_Group, Scripts_for_VASP #!/bin/bash #BSUB -J name_of_job #BSUB -q class_c #BSUB -n 16 #BSUB -W 23:59 #BSUB -o ...)
• 15:2315:23, 21 May 2013 KPOINTS (hist | edit) [590 bytes] Rgarcia (talk | contribs) (New page: go back to Main Page, Group Pages, Núria_López_and_Group For more information: http://cms.mpi.univie.ac.at/vasp/guide/node55.html To generate automatically the KPOINTS ...) originally created as "The KPOINTS file"
• 15:1815:18, 21 May 2013 Kpoints (hist | edit) [1,415 bytes] Rgarcia (talk | contribs) (New page: Instructions: Put this script as executable in your ~/bin folder. #!/bin/bash ########################################## # Rodrigo García-Muelas @ iciq-Tgn # # Jan 10, 2013...) originally created as "Kpoints.sh"

8 May 2013

• 17:2917:29, 8 May 2013 Geomview (hist | edit) [350 bytes] Mgumbau (talk | contribs) (New page: http://aliga.iciq.es/wiki/images/9/92/Wulffman-Installation-Ubuntu_12_04.pdf)

22 March 2013

• 15:3115:31, 22 March 2013 Blog (hist | edit) [930 bytes] Núria V (talk | contribs) (New page: '''ICIQ'S BLOG''' You can read posts written by ICIQ members [here http://interactions.iciq.es/en] If you'd like to be an ICIQ blogger, email Lorena: ltomas@iciq.es)
• 15:2015:20, 22 March 2013 Microsoft Lync messaging tool (hist | edit) [1,024 bytes] Núria V (talk | contribs) (New page: LYNC ICIQ has implemented Lync 2010 to improve the communications between personnel. This service provides real-time instant message (IM), audio and video calling, and also provides multi...)

11 January 2013

• 16:2416:24, 11 January 2013 Install HP MFP M475dw (hist | edit) [1,276 bytes] 10.0.7.14 (talk) (New page: '''AND HERE ARE MARTIN'S MORE DETAILED INSTRUCTIONS ON THE MACHINE AND ON HOW TO INSTALL THE PRINTER''' '''CAPABILITIES:''' → Print capabilities: -monochrome/color print -single/dou...)
• 12:0712:07, 11 January 2013 Bcheck (hist | edit) [707 bytes] Lbellarosa (talk | contribs) (New page: go back to Main Page, Computational Resources, Scripts, Scripts for VASP The script ''bcheck'' displays information about the elapsed/remaining time of a submitted job. ...)

9 January 2013

• 14:4514:45, 9 January 2013 Scylla&charybdis.tgz (hist | edit) [5,646 bytes] Lbellarosa (talk | contribs) (New page: go back to Main Page, Computational Resources, Scripts, Scripts for VASP The coupled scripts ''scylla.sh'' and ''charybdis.sh'' are used to run iteratively molecular dyna...)

12 December 2012

• 18:5318:53, 12 December 2012 Potgen (hist | edit) [2,187 bytes] Rgarcia (talk | contribs) (New page: #!/bin/bash # Create a GGA_PAW POTCAR file by concatenation of POTCAR files # D.K. version 2010-07-08 TGN # Rev. Rodrigo 2012-12-12 TGN # Define local potpaw_GGA pseudopotential reposito...) originally created as "Potcar.sh"
• 18:5218:52, 12 December 2012 POTCAR (hist | edit) [586 bytes] Rgarcia (talk | contribs) (New page: Script for generating a POTCAR file from the pseudopotential database. potcar.sh) originally created as "The POTCAR file"

16 November 2012

• 16:1616:16, 16 November 2012 How to Change the size of a window in Ubuntu 12.04 (hist | edit) [470 bytes] 10.0.7.14 (talk) (New page: go back to Main Page, Computational Resources, Information & Help, Chemistry & More, Linux & Unix Maybe some of you have found a little bit complicated to change the s...)

25 October 2012

• 11:5111:51, 25 October 2012 DFT+U (hist | edit) [1,886 bytes] Maxgarcia (talk | contribs) (New page: :→) originally created as "DFT + U"

23 October 2012

• 14:1914:19, 23 October 2012 INCAR (hist | edit) [14,462 bytes] Rgarcia (talk | contribs) (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...) originally created as "The INCAR file"
• 10:5410:54, 23 October 2012 VdW forces (hist | edit) [571 bytes] 10.0.7.27 (talk) (New page: == TRICKS: VDW forces == To include vdW interactions in a calculation with VASP, simply add this tag to your INCAR file: '''LVDW = .TRUE.''' The vdW's contribution to th...)

22 October 2012

• 16:2316:23, 22 October 2012 ShapeChange.tgz (hist | edit) [993 bytes] Lbellarosa (talk | contribs) (New page: == INSTALLATION STEPS == First of all, download the program: Image:ShapeChange.tgz uncompress it and compile it: ''f95 ShapeChange.f -o x.ShCh''. Place it in a directory of...)