User contributions for Vaspmaster

5 December 2012

• 14:0414:04, 5 December 2012 diff hist +419‎ N DQ ‎ Created page with '{{TAGDEF|DQ|[real]| 0.001}} Description: step size for the finite difference ''k''-space derivative in the linear response calculation of chemical shifts. ---- Typical values fo…'
• 14:0014:00, 5 December 2012 diff hist +19‎ LCHIMAG ‎No edit summary

4 December 2012

• 17:1617:16, 4 December 2012 diff hist +1,829‎ LCHIMAG ‎No edit summary
• 17:0817:08, 4 December 2012 diff hist +915‎ LCHIMAG ‎No edit summary
• 17:0317:03, 4 December 2012 diff hist +581‎ LCHIMAG ‎No edit summary
• 16:5616:56, 4 December 2012 diff hist +2,786‎ LCHIMAG ‎No edit summary
• 16:3516:35, 4 December 2012 diff hist +789‎ LCHIMAG ‎No edit summary
• 16:2516:25, 4 December 2012 diff hist +941‎ N LCHIMAG ‎ Created page with '{{TAGDEF|LCHIMAG|.TRUE. {{!}} .FALSE. | .FALSE.}} Description: ---- <ref name="pickard:prb:01"/><ref name="yates:prb:07"/><ref name="mason:ssn:93"/><ref name="gregor:jcp:99"/> …'
• 01:3701:37, 4 December 2012 diff hist +1‎ LEFG ‎No edit summary
• 01:3701:37, 4 December 2012 diff hist +192‎ LEFG ‎No edit summary
• 01:2901:29, 4 December 2012 diff hist −4‎ QUAD EFG ‎ →‎References
• 01:2801:28, 4 December 2012 diff hist +7‎ QUAD EFG ‎ →‎References
• 01:2601:26, 4 December 2012 diff hist −13‎ QUAD EFG ‎ →‎References
• 01:2501:25, 4 December 2012 diff hist +1‎ QUAD EFG ‎ →‎References
• 01:0101:01, 4 December 2012 diff hist +1‎ QUAD EFG ‎No edit summary
• 01:0001:00, 4 December 2012 diff hist +44‎ QUAD EFG ‎No edit summary
• 00:5900:59, 4 December 2012 diff hist +1,530‎ N QUAD EFG ‎ Created page with '{{TAGDEF|QUAD_EFG|[real array]|NTYP*1.0}} Description: nuclear quadrupole moment (in millbarn) for the atomic types on the {{FILE|POTCAR}} file. ---- Setting the {{TAG|QUAD_EFG}…'
• 00:4300:43, 4 December 2012 diff hist +940‎ LEFG ‎No edit summary
• 00:3400:34, 4 December 2012 diff hist +15‎ LEFG ‎No edit summary
• 00:3200:32, 4 December 2012 diff hist +622‎ N LEFG ‎ Created page with '{{TAGDEF|LEFG|.TRUE. {{!}} .FALSE. | .FALSE.}} Description: compute the electric field gradients at positions of the atomic nuclei. ---- For {{TAG|LEFG}}=.TRUE., the electric fi…'

3 December 2012

• 19:1019:10, 3 December 2012 diff hist +610‎ N NGYROMAG ‎ Created page with '{{TAGDEF|NGYROMAG|[real array]|NTYP*1.0}} Description: {{TAG|NGYROMAG}} specifies the nuclear gyromagnetic ratios for the atomic types on the {{FILE|POTCAR}} file. ---- By mean…'
• 19:0319:03, 3 December 2012 diff hist +53‎ Category:INCAR ‎No edit summary
• 18:5118:51, 3 December 2012 diff hist 0‎ LHYPERFINE ‎No edit summary
• 18:5018:50, 3 December 2012 diff hist +2,826‎ LHYPERFINE ‎No edit summary
• 18:4018:40, 3 December 2012 diff hist +2,257‎ LHYPERFINE ‎No edit summary
• 18:2018:20, 3 December 2012 diff hist +29‎ LHYPERFINE ‎No edit summary
• 18:1918:19, 3 December 2012 diff hist +56‎ LHYPERFINE ‎No edit summary
• 18:1718:17, 3 December 2012 diff hist +172‎ N LHYPERFINE ‎ Created page with '{{TAGDEF|LKPROJ|.TRUE. {{!}} .FALSE. | .FALSE.}} Description: ---- == Related Tags and Sections == {{TAG|NGYROMAG}} ---- Contents Category:INCAR'
• 15:5215:52, 3 December 2012 diff hist +98‎ LKPROJ ‎No edit summary
• 15:4615:46, 3 December 2012 diff hist −25‎ LKPROJ ‎No edit summary
• 15:4515:45, 3 December 2012 diff hist +47‎ PRJCAR ‎No edit summary
• 15:4515:45, 3 December 2012 diff hist −1‎ PRJCAR ‎No edit summary
• 15:4115:41, 3 December 2012 diff hist +28‎ PRJCAR ‎No edit summary
• 15:3615:36, 3 December 2012 diff hist +41‎ LKPROJ ‎No edit summary
• 15:3515:35, 3 December 2012 diff hist +329‎ LKPROJ ‎No edit summary
• 15:2715:27, 3 December 2012 diff hist +41‎ PRJCAR ‎No edit summary
• 15:2615:26, 3 December 2012 diff hist +68‎ PRJCAR ‎No edit summary
• 15:2415:24, 3 December 2012 diff hist −2‎ LKPROJ ‎No edit summary
• 15:1615:16, 3 December 2012 diff hist +40‎ PRJCAR ‎No edit summary
• 15:1515:15, 3 December 2012 diff hist +1,150‎ PRJCAR ‎No edit summary
• 15:0015:00, 3 December 2012 diff hist +87‎ N PRJCAR ‎ Created page with 'The PRJCAR file ---- Contents Category:VASPCategory:Files'
• 14:5914:59, 3 December 2012 diff hist +121‎ LKPROJ ‎No edit summary
• 13:3813:38, 3 December 2012 diff hist +221‎ LKPROJ ‎No edit summary
• 13:3313:33, 3 December 2012 diff hist +1,158‎ LKPROJ ‎No edit summary
• 12:5912:59, 3 December 2012 diff hist +390‎ N LKPROJ ‎ Created page with '{{TAGDEF|LKPROJ|.TRUE. {{!}} .FALSE. | .FALSE.}} Description: switches on the '''k'''-point projection scheme. ---- For {{TAG|LKPROJ}}=.TRUE., VASP will project the orbitals ont…'

26 September 2012

• 14:0414:04, 26 September 2012 diff hist −8‎ Bandstructure of SrVO3 in GW ‎ →‎Bandstructure using WANNIER90
• 13:3113:31, 26 September 2012 diff hist +19‎ Bandstructure of SrVO3 in GW ‎ →‎A more accurate GW calculation
• 13:3013:30, 26 September 2012 diff hist +19‎ Bandstructure of SrVO3 in GW ‎ →‎Analysis of the DOS
• 13:2513:25, 26 September 2012 diff hist +91‎ Bandstructure of SrVO3 in GW ‎ →‎A more accurate GW calculation
• 13:1813:18, 26 September 2012 diff hist −595‎ Bandstructure of SrVO3 in GW ‎ →‎The GW calculation