User contributions for 10.0.7.16

15 March 2021

• 10:3910:39, 15 March 2021 diff hist +67 N Qrobot New page: The Qrobot is on tekla in <nowiki> /home/qli/bin/Q_robot </nowiki> current

16 December 2019

• 12:0612:06, 16 December 2019 diff hist −16 Useful links for Quantum Espresso No edit summary current

11 June 2019

• 15:5115:51, 11 June 2019 diff hist −9 Submitting a Quantum Espresso job No edit summary current
• 15:5015:50, 11 June 2019 diff hist +100 Submitting a Quantum Espresso job No edit summary

9 May 2019

• 11:4311:43, 9 May 2019 diff hist +148 DFT+U No edit summary

8 May 2019

• 18:0418:04, 8 May 2019 diff hist +1,114 Submitting a Quantum Espresso job No edit summary
• 15:2715:27, 8 May 2019 diff hist +6 Submitting a Quantum Espresso job No edit summary

7 May 2019

• 15:3315:33, 7 May 2019 diff hist +63 Submitting a Quantum Espresso job No edit summary
• 15:3215:32, 7 May 2019 diff hist +120 Submitting a Quantum Espresso job No edit summary

3 May 2019

• 12:1312:13, 3 May 2019 diff hist +12 Useful links for Quantum Espresso No edit summary

2 May 2019

• 17:5817:58, 2 May 2019 diff hist +7 Examples for Quantum Espresso No edit summary current
• 17:5717:57, 2 May 2019 diff hist +914 Examples for Quantum Espresso No edit summary
• 17:5117:51, 2 May 2019 diff hist +91 Examples for Quantum Espresso No edit summary
• 17:3117:31, 2 May 2019 diff hist +30 Submitting a Quantum Espresso job replace old module with module load quantumespresso/6.2-environ-1.0 for MN4

15 April 2019

• 13:1813:18, 15 April 2019 diff hist −11 Spirituality No edit summary current
• 13:1813:18, 15 April 2019 diff hist +476 N Spirituality New page: ''"Science without religion is lame, religion without science is blind."'' - Albert Einstein * The Whatsapp group of the lab is called '''La secta de Pizza Hugo'''. How to join it? Who kn...
• 13:0813:08, 15 April 2019 diff hist +19 Miscellaneous; curiosities and funny stuff No edit summary
• 13:0613:06, 15 April 2019 diff hist +160 Tarragona No edit summary

8 April 2019

• 15:4615:46, 8 April 2019 diff hist −20 Useful links for Quantum Espresso No edit summary

26 November 2018

• 18:5118:51, 26 November 2018 diff hist +13 Submitting a Quantum Espresso job No edit summary

27 June 2018

• 13:4013:40, 27 June 2018 diff hist +116 Useful links for Quantum Espresso No edit summary

30 April 2018

• 11:3311:33, 30 April 2018 diff hist +1 Examples for Quantum Espresso No edit summary
• 11:3311:33, 30 April 2018 diff hist +8 Examples for Quantum Espresso No edit summary
• 11:3111:31, 30 April 2018 diff hist −2 Examples for Quantum Espresso No edit summary

25 April 2018

• 16:3316:33, 25 April 2018 diff hist +11 Useful links for Quantum Espresso No edit summary
• 16:3216:32, 25 April 2018 diff hist +109 Useful links for Quantum Espresso No edit summary

17 January 2018

• 17:0317:03, 17 January 2018 diff hist +3,497 Submitting a Quantum Espresso job No edit summary

15 January 2018

• 16:4516:45, 15 January 2018 diff hist +21 Núria López and Group →Tools

11 January 2018

• 17:2517:25, 11 January 2018 diff hist +7,193 Some scripts for file format conversion No edit summary current

9 January 2018

• 16:3616:36, 9 January 2018 diff hist +2 Some scripts for file format conversion No edit summary
• 16:3616:36, 9 January 2018 diff hist +30 Some scripts for file format conversion No edit summary
• 16:3516:35, 9 January 2018 diff hist +19 Some scripts for file format conversion No edit summary
• 16:3416:34, 9 January 2018 diff hist +27 Some scripts for file format conversion No edit summary
• 16:3416:34, 9 January 2018 diff hist +2,127 N Some scripts for file format conversion New page: QE use the xsf file format produced by pwi2xsf.sh and pwo2xsf.sh. They can be opened only by Xcrysden. If you need to open your structure with other tools you can convert it to a cif file ...
• 16:3016:30, 9 January 2018 diff hist +47 Scripts for QE No edit summary

8 January 2018

• 16:0016:00, 8 January 2018 diff hist +905 Submitting a Quantum Espresso job No edit summary

11 December 2017

• 15:5015:50, 11 December 2017 diff hist −63 Examples for Quantum Espresso No edit summary
• 15:4915:49, 11 December 2017 diff hist +3,386 N Examples for Quantum Espresso New page: Here are the input examples for a Quantum Espresso (QE) 6.1. The main program for single point calculations and geometry/cell optimisation is pw.x. USPP.001_G_D2H2O.in <pre> &CONTROL ...
• 15:4115:41, 11 December 2017 diff hist −148 Scripts for QE No edit summary
• 15:4015:40, 11 December 2017 diff hist +21 Scripts for QE No edit summary
• 15:4015:40, 11 December 2017 diff hist −4,422 Scripts for QE Replacing page with 'go back to Main Page, Group Pages, Núria López and Group, Scripts_for_VASP - Examples - Submitting a Quantum Espresso job Here is a script for submi...'
• 15:4015:40, 11 December 2017 diff hist +31 Submitting a Quantum Espresso job No edit summary
• 15:3915:39, 11 December 2017 diff hist +4,420 N Submitting a Quantum Espresso job New page: To submit to CSUC collserola, usually for small jobs (max 24 cores per node), shorter waiting queue for small jobs. <pre> #!/bin/bash # specifies the name of your job # BSUB -J jobname # ...
• 15:3915:39, 11 December 2017 diff hist +56 Scripts for QE No edit summary

17 November 2017

• 16:4016:40, 17 November 2017 diff hist +1 Scripts for QE No edit summary
• 16:4016:40, 17 November 2017 diff hist −446 Scripts for QE No edit summary
• 16:3816:38, 17 November 2017 diff hist +87 Scripts for QE No edit summary

31 August 2017

• 16:4116:41, 31 August 2017 diff hist +1 Forrtl: severe (41): insufficient virtual memory No edit summary current
• 16:4016:40, 31 August 2017 diff hist +164 N Forrtl: severe (41): insufficient virtual memory New page: The error forrtl: severe (41): insufficient virtual memory When running VASP or QE on you local machine can be fixed by adding ulimit -s unlimited in your .bashrc

19 May 2017

• 09:2209:22, 19 May 2017 diff hist 0 Scripts for QE No edit summary