User contributions for Ftran

10:3510:35, 30 January 2024 diff hist +77‎ PARAM2 ‎No edit summary
10:2610:26, 30 January 2024 diff hist −86‎ PARAM2 ‎No edit summary
10:2610:26, 30 January 2024 diff hist −86‎ PARAM2 ‎No edit summary
10:2510:25, 30 January 2024 diff hist +2‎ PARAM1 ‎No edit summary
10:2510:25, 30 January 2024 diff hist −60‎ PARAM1 ‎No edit summary
10:1810:18, 30 January 2024 diff hist +843‎ PARAM2 ‎No edit summary
10:1810:18, 30 January 2024 diff hist +788‎ N PARAM2 ‎ Created page with "{{TAGDEF|PARAM2|[real]|1.0}} Description: The {{TAG|PARAM2}} tag determines the value corresponding to either <math>\kappa</math> in the exchange GGA optB86b{{cite|klimes:prb:2011}}/B86R{{cite|hamada:prb:2014}} ({{TAG|GGA}}=MK) or <math>\mu</math> in the exchange GGA optB88{{cite|klimes:jpcm:2010}} ({{TAG|GGA}}=BO). ---- Note that {{TAG|PARAM2}} should be set to 1.0 (the default) for the nonlocal optB86b-vdW functional, to 0.711357 for the nonlocal rev-vdW-DF2 functiona..."
10:0510:05, 30 January 2024 diff hist +1,430‎ N PARAM1 ‎ Created page with "{{TAGDEF|PARAM1|[real]|0.1234}} Description: The {{TAG|PARAM1}} tag determines the value corresponding to different parameters depending on the {{TAG|GGA}} functional that is chosen: *<math>\mu</math> in the exchange GGA optB86b{{cite|klimes:prb:2011}}, B86R{{cite|hamada:prb:2014}}, and DF3-opt2{{cite|chakraborty:jctc:2020}}, which have the same analytical form and correspond to {{TAG|GGA}}=MK. {{TAG|PARAM1}} should in principle be set to 0.1234 for the nonlocal optB86b..."

21:0621:06, 29 January 2024 diff hist 0‎ GAMMA VDW ‎No edit summary
21:0521:05, 29 January 2024 diff hist 0‎ GAMMA VDW ‎No edit summary
21:0321:03, 29 January 2024 diff hist +615‎ N GAMMA VDW ‎ Created page with "{{DISPLAYTITLE:GAMMA_VDW}} {{TAGDEF|GAMMA_VDW|[real]}} {{DEF|GAMMA_VDW|1.12|for {{TAG|IVDW_NL}}{{=}}3 or |1.29|for {{TAG|IVDW_NL}}{{=}}4}} Description: The tag {{TAG|ALPHA_VDW}} allows to specify the value of the parameter <math>\alpha</math> in the kernel of the nonlocal vdW-DF3-opt1 or vdW-DF3-opt2 correlation functional.{{cite|chakraborty:jctc:2020}} ---- == Related tags and articles == {{TAG|ALPHA_VDW}}, {{TAG|Nonlocal vdW-DF functionals}} {{sc|GAMMA_VDW|Examples|..."
20:5620:56, 29 January 2024 diff hist +30‎ ALPHA VDW ‎No edit summary
20:5620:56, 29 January 2024 diff hist −1‎ Category:DFT+U ‎No edit summary
20:5520:55, 29 January 2024 diff hist +270‎ Template:Cite ‎No edit summary
20:4420:44, 29 January 2024 diff hist +447‎ ALPHA VDW ‎No edit summary
20:4020:40, 29 January 2024 diff hist −2‎ ALPHA VDW ‎No edit summary
20:3820:38, 29 January 2024 diff hist +4‎ ALPHA VDW ‎No edit summary Tag: Manual revert
20:3820:38, 29 January 2024 diff hist −4‎ ALPHA VDW ‎No edit summary
20:3820:38, 29 January 2024 diff hist 0‎ ALPHA VDW ‎No edit summary
20:3720:37, 29 January 2024 diff hist +32‎ ALPHA VDW ‎No edit summary
20:3720:37, 29 January 2024 diff hist −2‎ ALPHA VDW ‎No edit summary
20:3620:36, 29 January 2024 diff hist +116‎ N ALPHA VDW ‎ Created page with "{{DISPLAYTITLE:ALPHA_VDW}} {{TAGDEF|ALPHA_VDW|[real]}} {{DEF|ALPHA_VDW|-1|for {{TAG|NSW}}{{=}}−1 or 0|0|else}}"
19:5619:56, 29 January 2024 diff hist +26‎ XC C ‎No edit summary
19:5319:53, 29 January 2024 diff hist +6‎ XC C ‎No edit summary
19:5219:52, 29 January 2024 diff hist +129‎ XC C ‎No edit summary
19:3619:36, 29 January 2024 diff hist +37‎ XC C ‎No edit summary
19:3419:34, 29 January 2024 diff hist −4,254‎ XC C ‎No edit summary
19:3019:30, 29 January 2024 diff hist +16‎ XC C ‎No edit summary
19:3019:30, 29 January 2024 diff hist +8‎ XC C ‎No edit summary
19:2919:29, 29 January 2024 diff hist +4,827‎ N XC C ‎ Created page with "{{DISPLAYTITLE:XC_C}} {{TAGDEF|XC_C|[real] | 1.0}} Description: {{TAG|XC_C}} allows to specify the factors that multiply the functionals specified with the {{TAG|XC}}. ---- For many of the functionals implemented in the library of exchange-correlation functionals Libxc{{cite|marques:cpc:2012}}{{cite|lehtola:sx:2018}}{{cite|libxc}} it is possible to modify the parameters if one does not want to use the default values. If a functional from Libxc has parameters that can b..."
19:1619:16, 29 January 2024 diff hist −52‎ XC ‎No edit summary
19:1519:15, 29 January 2024 diff hist +33‎ XC ‎No edit summary
19:1219:12, 29 January 2024 diff hist −8‎ XC ‎No edit summary
19:0919:09, 29 January 2024 diff hist −7‎ XC ‎No edit summary
19:0919:09, 29 January 2024 diff hist −1‎ XC ‎No edit summary
19:0819:08, 29 January 2024 diff hist +8‎ XC ‎No edit summary
16:2616:26, 29 January 2024 diff hist +12‎ XC ‎No edit summary
16:2616:26, 29 January 2024 diff hist 0‎ XC ‎No edit summary
16:2116:21, 29 January 2024 diff hist +21‎ XC ‎No edit summary
16:2016:20, 29 January 2024 diff hist −3‎ XC ‎No edit summary
16:1816:18, 29 January 2024 diff hist +231‎ XC ‎No edit summary
16:1616:16, 29 January 2024 diff hist +272‎ Template:Cite ‎No edit summary
16:0816:08, 29 January 2024 diff hist +235‎ Template:Cite ‎No edit summary
16:0216:02, 29 January 2024 diff hist +31‎ XC ‎No edit summary
15:5415:54, 29 January 2024 diff hist +118‎ XC ‎No edit summary
15:4215:42, 29 January 2024 diff hist +49‎ XC ‎No edit summary
15:3815:38, 29 January 2024 diff hist +195‎ XC ‎No edit summary
15:3515:35, 29 January 2024 diff hist +27‎ XC ‎No edit summary
15:3315:33, 29 January 2024 diff hist +24‎ XC ‎No edit summary
15:3215:32, 29 January 2024 diff hist −53‎ Template:Cite ‎No edit summary

30 January 2024

29 January 2024