User contributions for Huebsch

7 April 2022

• 09:2909:29, 7 April 2022 diff hist +42‎ N Molecular dynamics ‎ Huebsch moved page Molecular dynamics to Category:Molecular dynamics current Tag: New redirect
• 09:2909:29, 7 April 2022 diff hist 0‎ m Category:Molecular dynamics ‎ Huebsch moved page Molecular dynamics to Category:Molecular dynamics
• 09:2909:29, 7 April 2022 diff hist +3,276‎ N Category:Molecular dynamics ‎ Created page with "To get an idea about what basically molecular dynamics is and what the main contents are we refer the reader to references {{cite|frenkel:book:1996}} and {{cite|allen:book:199..."
• 09:2809:28, 7 April 2022 diff hist +33‎ Toolchains ‎No edit summary
• 09:2509:25, 7 April 2022 diff hist +14‎ Toolchains ‎No edit summary
• 09:2409:24, 7 April 2022 diff hist +66‎ Toolchains ‎No edit summary
• 08:4808:48, 7 April 2022 diff hist +30‎ Category:INCAR tag ‎No edit summary current
• 08:4708:47, 7 April 2022 diff hist −1‎ Category:Installation ‎No edit summary current Tag: Visual edit: Switched
• 08:4708:47, 7 April 2022 diff hist +31‎ Category:Installation ‎No edit summary
• 08:4708:47, 7 April 2022 diff hist +36‎ N Installation ‎ Redirected page to Category:Installation current Tag: New redirect
• 08:4508:45, 7 April 2022 diff hist +60‎ Category:Calculation setup ‎No edit summary
• 08:4108:41, 7 April 2022 diff hist +51‎ ICONST ‎No edit summary
• 08:4008:40, 7 April 2022 diff hist +21‎ LATTICE CONSTRAINTS ‎No edit summary Tag: Visual edit: Switched
• 08:3908:39, 7 April 2022 diff hist +21‎ ISIF ‎No edit summary
• 08:3808:38, 7 April 2022 diff hist +21‎ NWRITE ‎No edit summary
• 08:3708:37, 7 April 2022 diff hist +25‎ MAGMOM ‎No edit summary
• 08:3508:35, 7 April 2022 diff hist −5‎ The VASP Manual ‎No edit summary
• 08:3408:34, 7 April 2022 diff hist +1‎ PSTRESS ‎No edit summary
• 08:2808:28, 7 April 2022 diff hist −71‎ POTIM ‎No edit summary
• 08:2808:28, 7 April 2022 diff hist −40‎ NSW ‎No edit summary
• 08:2708:27, 7 April 2022 diff hist −71‎ NFREE ‎No edit summary current
• 08:2608:26, 7 April 2022 diff hist −33‎ LDIPOL ‎No edit summary
• 08:2508:25, 7 April 2022 diff hist −5‎ LCORR ‎No edit summary
• 08:0508:05, 7 April 2022 diff hist −40‎ IWAVPR ‎No edit summary
• 08:0408:04, 7 April 2022 diff hist −40‎ ISIF ‎No edit summary
• 08:0308:03, 7 April 2022 diff hist −71‎ IBRION ‎No edit summary
• 08:0208:02, 7 April 2022 diff hist −5‎ Hellmann-Feynman forces ‎No edit summary
• 07:5507:55, 7 April 2022 diff hist +16‎ Energy vs volume Volume relaxations and Pulay stress ‎No edit summary
• 07:5107:51, 7 April 2022 diff hist −1‎ EDIFFG ‎No edit summary
• 07:4507:45, 7 April 2022 diff hist +42‎ N Ionic minimization ‎ Huebsch moved page Ionic minimization to Category:Ionic minimization current Tag: New redirect
• 07:4507:45, 7 April 2022 diff hist 0‎ m Category:Ionic minimization ‎ Huebsch moved page Ionic minimization to Category:Ionic minimization
• 07:4407:44, 7 April 2022 diff hist +1,713‎ N Category:Ionic minimization ‎ Created page with "By virtue of the Born-Oppenheimer approximation, the electronic and ionic degrees of freedom are treated separately in VASP. Using the Hellmann-Feynman theorem, VASP can appro..."

6 April 2022

• 16:5716:57, 6 April 2022 diff hist +63‎ The VASP Manual ‎No edit summary
• 16:4216:42, 6 April 2022 diff hist −33‎ Category:INCAR tag ‎No edit summary
• 16:4216:42, 6 April 2022 diff hist +3‎ Category:INCAR tag ‎No edit summary Tag: Visual edit: Switched
• 16:4116:41, 6 April 2022 diff hist +33‎ N INCAR tag ‎ Huebsch moved page INCAR tag to Category:INCAR tag current Tag: New redirect
• 16:4116:41, 6 April 2022 diff hist 0‎ m Category:INCAR tag ‎ Huebsch moved page INCAR tag to Category:INCAR tag
• 16:4116:41, 6 April 2022 diff hist +286‎ N Category:INCAR tag ‎ Created page with "The {{FILE|INCAR}} file is the central input file. It contains '''INCAR tags''' that specify the parameters, algorithms and settings for the VASP calc..."
• 16:3116:31, 6 April 2022 diff hist +56‎ N Exchange-correlation functionals ‎ Redirected page to Category:Exchange-correlation functionals current Tag: New redirect
• 16:2916:29, 6 April 2022 diff hist +64‎ Category:Electronic minimization ‎No edit summary
• 16:0716:07, 6 April 2022 diff hist −72‎ Wrap-around errors ‎No edit summary current
• 16:0716:07, 6 April 2022 diff hist +3‎ WEIMIN ‎No edit summary
• 16:0516:05, 6 April 2022 diff hist +3‎ SYSTEM ‎No edit summary
• 16:0316:03, 6 April 2022 diff hist +25‎ SYMPREC ‎No edit summary
• 16:0116:01, 6 April 2022 diff hist −40‎ SMEARINGS ‎No edit summary
• 15:5815:58, 6 April 2022 diff hist −38‎ Construction:Single band steepest descent scheme ‎No edit summary
• 15:5415:54, 6 April 2022 diff hist +4‎ SIGMA ‎No edit summary
• 15:4815:48, 6 April 2022 diff hist +53‎ RWIGS ‎No edit summary
• 15:4715:47, 6 April 2022 diff hist +32‎ ROPT ‎No edit summary
• 15:4615:46, 6 April 2022 diff hist −42‎ RMM-DIIS ‎No edit summary