User contributions for Ftran
14 October 2024
- 13:5613:56, 14 October 2024 diff hist +27,324 N Construction:GGA Created page with "{{TAGDEF|GGA|PE {{!}} RP {{!}} PS {{!}} AM {{!}} LIBXC {{!}} ...| exchange-correlation functional in accordance with the {{FILE|POTCAR}} file}} Description: {{TAG|GGA}} specifies a LDA or GGA exchange-correlation functional. ---- This tag was added to perform GGA calculations with pseudopotentials generated with conventional LDA reference configurations. {{NB| important| VASP recalculates the exchange-correlation energy inside the PAW sphere and corrects the atomic ener..."
7 October 2024
- 14:2614:26, 7 October 2024 diff hist +1 SCALEE No edit summary
30 September 2024
- 14:0814:08, 30 September 2024 diff hist +367 IVDW No edit summary current
11 September 2024
- 10:1510:15, 11 September 2024 diff hist −9 Nonlocal vdW-DF functionals No edit summary
- 09:3709:37, 11 September 2024 diff hist +409 Nonlocal vdW-DF functionals No edit summary
- 09:3009:30, 11 September 2024 diff hist +3 Precompiler options No edit summary current
- 09:2809:28, 11 September 2024 diff hist 0 Precompiler options No edit summary
- 09:2509:25, 11 September 2024 diff hist +9 Precompiler options No edit summary
- 08:3808:38, 11 September 2024 diff hist +206 Nonlocal vdW-DF functionals No edit summary
- 08:3408:34, 11 September 2024 diff hist −6 Template:Cite No edit summary
22 July 2024
- 14:2914:29, 22 July 2024 diff hist +58 KPOINTS OPT No edit summary current
- 12:5712:57, 22 July 2024 diff hist +297 KPOINTS OPT No edit summary
9 July 2024
- 16:2916:29, 9 July 2024 diff hist −74 VDW S6 No edit summary current
- 15:2815:28, 9 July 2024 diff hist −12 VDW S6 No edit summary
- 15:2715:27, 9 July 2024 diff hist −12 VDW S6 No edit summary
2 July 2024
- 14:0214:02, 2 July 2024 diff hist +230 AMGGAC No edit summary current
- 14:0014:00, 2 July 2024 diff hist +215 AMGGAX No edit summary current
- 13:2913:29, 2 July 2024 diff hist +56 GGA No edit summary
- 13:2013:20, 2 July 2024 diff hist +219 GGA No edit summary
1 July 2024
- 14:5414:54, 1 July 2024 diff hist +18 IVDW No edit summary
- 14:5114:51, 1 July 2024 diff hist +127 Category:Exchange-correlation functionals No edit summary current
- 14:4714:47, 1 July 2024 diff hist +126 Category:Van der Waals functionals No edit summary current
- 14:4014:40, 1 July 2024 diff hist −1 IVDW No edit summary
- 14:4014:40, 1 July 2024 diff hist +23 IVDW No edit summary
- 14:3414:34, 1 July 2024 diff hist +262 IVDW No edit summary
12 June 2024
- 07:1307:13, 12 June 2024 diff hist +2 Construction:Precompiler options No edit summary current
- 07:1007:10, 12 June 2024 diff hist +5 LTBOUNDLIBXC No edit summary
- 07:0907:09, 12 June 2024 diff hist −5 Construction:LNOAUGXC No edit summary
11 June 2024
- 10:4010:40, 11 June 2024 diff hist +236 Template:Cite No edit summary
- 10:3610:36, 11 June 2024 diff hist +294 Template:Cite No edit summary
- 10:3310:33, 11 June 2024 diff hist +14 Template:Cite No edit summary Tag: Manual revert
- 10:3210:32, 11 June 2024 diff hist −14 Template:Cite No edit summary
- 10:3110:31, 11 June 2024 diff hist +10 Template:Cite No edit summary
- 10:2910:29, 11 June 2024 diff hist +132 Template:Cite No edit summary
- 10:2710:27, 11 June 2024 diff hist +93 Template:Cite No edit summary
- 10:2510:25, 11 June 2024 diff hist +107 Template:Cite No edit summary
- 10:2410:24, 11 June 2024 diff hist +100 Template:Cite No edit summary
- 10:2210:22, 11 June 2024 diff hist +134 Template:Cite No edit summary
- 10:1910:19, 11 June 2024 diff hist +95 Template:Cite No edit summary
- 08:4308:43, 11 June 2024 diff hist −3 Template:Cite No edit summary
- 08:2908:29, 11 June 2024 diff hist +24 METAGGA No edit summary
- 08:2608:26, 11 June 2024 diff hist +226 Template:Cite No edit summary
- 08:2108:21, 11 June 2024 diff hist −261 Template:Cite No edit summary
- 08:2108:21, 11 June 2024 diff hist +2 GGA No edit summary
- 07:5107:51, 11 June 2024 diff hist +3 Construction:Precompiler options No edit summary
- 07:4907:49, 11 June 2024 diff hist +14 Construction:Precompiler options No edit summary
- 07:4707:47, 11 June 2024 diff hist +7,916 N Construction:Precompiler options Created page with "Precompiler flags are used to activate/deactivate certain code features at the time of compilation, e.g., the use of MPI, the advanced molecular dynamics features, etc. Many precompiler flags are set by default in the templates provided for the makefile.include file. The commands are as follows: ;CPP :The command to invoke the precompiler you want to use, for instance: :* Using Intel's Fortran precompiler: :<pre>CPP=fpp -f_com=no..."
- 07:3707:37, 11 June 2024 diff hist +63 LTBOUNDLIBXC No edit summary
- 07:3307:33, 11 June 2024 diff hist +11 Construction:LNOAUGXC No edit summary
- 07:3207:32, 11 June 2024 diff hist +52 Construction:LNOAUGXC No edit summary