User contributions for Vaspmaster

16:0916:09, 4 June 2012 diff hist +859‎ N Fcc Si ‎ Created page with '*INCAR System = fcc Si ISTART = 0 ; ICHARG=2 ENCUT = 240 ISMEAR = 0; SIGMA = 0.1 *KPOINTS k-points 0 Monkhorst Pack 11 11 11 0 0 0 *POSCAR fcc Si: 3.9 0.…'
15:4715:47, 4 June 2012 diff hist +870‎ N H2O molecular dynamics ‎ Created page with '*INCAR PREC = Normal ! standard precision ENMAX = 400 ! cutoff should be set manually ISMEAR = 0 ; SIGMA = 0.1 IBRION = 0 ! molecular dynamics NSW = 100 …'
15:4515:45, 4 June 2012 diff hist +14‎ CO partial DOS ‎No edit summary
15:4215:42, 4 June 2012 diff hist 0‎ m CO partial DOS ‎ moved CO2 partial DOS to CO partial DOS: old one was wrong
15:4215:42, 4 June 2012 diff hist +853‎ N CO partial DOS ‎ Created page with '*INCAR SYSTEM = CO molecule in a box ISMEAR = 0 ! Gaussian smearing LORBIT = 11 *KPOINTS Gamma-point only 1 ! one k-point rec ! in units of the reciprocal lat…'
15:4015:40, 4 June 2012 diff hist +989‎ N H2O vibration ‎ Created page with '*INCAR SYSTEM = H2O vibration ISMEAR = 0 ! Gaussian smearing IBRION = 5 ! use the conjugate gradient algorithm NFREE = 2 ! central differences POTIM = 0.02 ! 0.02 A s…'
15:3815:38, 4 June 2012 diff hist +858‎ N H2O ‎ Created page with '*INCAR PREC = Normal ! standard precision ENMAX = 400 ! cutoff should be set manually ISMEAR = 0 ; SIGMA = 0.1 IBRION = 1 ! use DIIS algorithm to converge NFR…'
15:3615:36, 4 June 2012 diff hist +1,003‎ N CO vibration ‎ Created page with '*INCAR SYSTEM = CO molecule in a box ISMEAR = 0 ! Gaussian smearing IBRION = 5 ! use the conjugate gradient algorithm NFREE = 2 ! central differences POTIM = 0.02 ! 0…'
15:3415:34, 4 June 2012 diff hist +849‎ N CO ‎ Created page with '*INCAR SYSTEM = CO molecule in a box ISMEAR = 0 ! Gaussian smearing NSW = 5 ! 5 ionic steps IBRION = 2 ! use the conjugate gradient algorithm *KPOINTS Gamma-point only …'
15:3315:33, 4 June 2012 diff hist +874‎ N O dimer ‎ Created page with '*INCAR SYSTEM = O2 dimer in a box ISMEAR = 0 ! Gaussian smearing ISPIN = 2 ! spin polarized calculation NSW = 5 ! 5 ionic steps IBRION = 2 ! use the conjugate gradient a…'
15:3115:31, 4 June 2012 diff hist −1‎ O atom ‎No edit summary
15:3115:31, 4 June 2012 diff hist +780‎ N O atom spinpolarized low symmetry ‎ Created page with '*INCAR SYSTEM = O atom in a box ISMEAR = 0 ! Gaussian smearing SIGMA = 0.01 ISPIN = 2 ! spin polarized calculation *KPOINTS Gamma-point only 1 ! one k-point r…'
15:2815:28, 4 June 2012 diff hist +753‎ N O atom spinpolarized ‎ Created page with '*INCAR SYSTEM = O atom in a box ISMEAR = 0 ! Gaussian smearing ISPIN = 2 ! spin polarized calculation *KPOINTS Gamma-point only 1 ! one k-point rec ! in u…'
15:2415:24, 4 June 2012 diff hist +94‎ O atom ‎No edit summary
15:1915:19, 4 June 2012 diff hist +30‎ O atom ‎No edit summary
15:1815:18, 4 June 2012 diff hist −12‎ O atom ‎No edit summary
15:1815:18, 4 June 2012 diff hist +12‎ O atom ‎No edit summary
15:1815:18, 4 June 2012 diff hist +580‎ N O atom ‎ Created page with '*INCAR SYSTEM = O atom in a box ISMEAR = 0 ! Gaussian smearing *KPOINTS Gamma-point only 1 ! one k-point rec ! in units of the reciprocal lattice vector 0 …'
13:1813:18, 4 June 2012 diff hist +112‎ N Category:Examples ‎ Created page with 'All articles related to VASP example calculations ---- Contents Examples'

12:1312:13, 28 February 2011 diff hist +6‎ LWAVE ‎No edit summary
12:1212:12, 28 February 2011 diff hist +5‎ LWAVE ‎No edit summary
12:1112:11, 28 February 2011 diff hist +29‎ Practical guide to GW calculations ‎No edit summary
12:0912:09, 28 February 2011 diff hist −27‎ NOMEGA ‎No edit summary
12:0612:06, 28 February 2011 diff hist +108‎ N Talk:ScGW0 caveat ‎ Created page with 'Probably we should merge this ''caveat'' with scGW0 recipe page, and then remove it as a standalone article.' current

17:2917:29, 8 February 2011 diff hist 0‎ MediaWiki:Cite references link many format ‎No edit summary current
17:2817:28, 8 February 2011 diff hist +31‎ N MediaWiki:Cite references link one ‎ Created page with '<li id="$1">↑ $3</li>' current
17:2517:25, 8 February 2011 diff hist 0‎ MediaWiki:Cite references link many format ‎No edit summary
17:2417:24, 8 February 2011 diff hist 0‎ MediaWiki:Cite references link many format ‎No edit summary
17:2217:22, 8 February 2011 diff hist +3‎ MediaWiki:Cite references link many ‎No edit summary current
17:2117:21, 8 February 2011 diff hist +23‎ N MediaWiki:Cite references link many ‎ Created page with '<li id="$1">↑ $2</li>'
17:2117:21, 8 February 2011 diff hist 0‎ MediaWiki:Cite references link many format ‎No edit summary
17:2017:20, 8 February 2011 diff hist 0‎ MediaWiki:Cite references link many format ‎No edit summary
17:1817:18, 8 February 2011 diff hist 0‎ MediaWiki:Cite references link many format ‎No edit summary
17:1817:18, 8 February 2011 diff hist +21‎ N MediaWiki:Cite references link many format ‎ Created page with '<sup>$3</sup>'

13:1913:19, 14 April 2010 diff hist +6‎ Main Page ‎No edit summary current
12:5612:56, 14 April 2010 diff hist +73‎ Main Page ‎No edit summary
12:5512:55, 14 April 2010 diff hist 0‎ m Template:TAG ‎ 1 revision current
12:5512:55, 14 April 2010 diff hist 0‎ m Template:TAGDEF ‎ 1 revision current
12:5512:55, 14 April 2010 diff hist 0‎ m Template:FILE ‎ 1 revision current
12:5512:55, 14 April 2010 diff hist 0‎ m Template:DEF ‎ 1 revision
12:5512:55, 14 April 2010 diff hist 0‎ m Template:= ‎ 1 revision current
12:5512:55, 14 April 2010 diff hist 0‎ m Template:!- ‎ 1 revision current
12:5512:55, 14 April 2010 diff hist 0‎ m The VASP Manual ‎ 1 revision
12:5512:55, 14 April 2010 diff hist 0‎ m ICHARG ‎ 1 revision
12:5512:55, 14 April 2010 diff hist 0‎ m PREC ‎ 1 revision
12:5412:54, 14 April 2010 diff hist 0‎ m POTCAR ‎ 1 revision
12:5412:54, 14 April 2010 diff hist 0‎ m INCAR ‎ 1 revision
12:5412:54, 14 April 2010 diff hist 0‎ m CHGCAR ‎ 1 revision
12:5412:54, 14 April 2010 diff hist 0‎ m WAVECAR ‎ 1 revision
12:5412:54, 14 April 2010 diff hist 0‎ m Category:INCAR ‎ 1 revision

4 June 2012

28 February 2011

8 February 2011

14 April 2010