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19 February 2009
- 23:1123:11, 19 February 2009 diff hist 0 File:Dos.jpg uploaded a new version of "Image:Dos.jpg": Reverted to version as of 20:44, 19 February 2009
- 23:1123:11, 19 February 2009 diff hist 0 File:Dos.jpg uploaded a new version of "Image:Dos.jpg"
- 23:1023:10, 19 February 2009 diff hist +18 VASP Computing Density of States of YSZ →Result
- 23:1023:10, 19 February 2009 diff hist −18 VASP Computing Density of States of YSZ →Result
- 21:3121:31, 19 February 2009 diff hist +20 VASP Computing Bulk Modulus of YSZ →Analyze data current
- 21:3121:31, 19 February 2009 diff hist −20 VASP Computing Bulk Modulus of YSZ →Analyze data
- 21:3021:30, 19 February 2009 diff hist 0 File:Fita0B.jpg uploaded a new version of "Image:Fita0B.jpg"
- 21:2921:29, 19 February 2009 diff hist 0 File:Fita0EB.jpg uploaded a new version of "Image:Fita0EB.jpg"
- 21:2721:27, 19 February 2009 diff hist +42 VASP Computing Bulk Modulus of YSZ →Analyze data
- 21:2721:27, 19 February 2009 diff hist −42 VASP Computing Bulk Modulus of YSZ →Analyze data
- 21:2421:24, 19 February 2009 diff hist −1 m VASP Computing Bulk Modulus of YSZ →Analyze data
- 21:2321:23, 19 February 2009 diff hist +1 m VASP Computing Bulk Modulus of YSZ →Analyze data
- 21:2221:22, 19 February 2009 diff hist 0 N File:Fita0B.jpg No edit summary
- 21:2121:21, 19 February 2009 diff hist 0 N File:Fita0EB.jpg No edit summary
- 21:2121:21, 19 February 2009 diff hist +42 VASP Computing Bulk Modulus of YSZ →Analyze data
- 21:1521:15, 19 February 2009 diff hist +41 m VASP Computing Bulk Modulus of YSZ →Input files
- 20:4420:44, 19 February 2009 diff hist 0 N File:Dos.jpg No edit summary
- 20:3920:39, 19 February 2009 diff hist +18 VASP Computing Density of States of YSZ →Result
- 20:3820:38, 19 February 2009 diff hist −15 m VASP Computing Density of States of YSZ No edit summary
- 20:3820:38, 19 February 2009 diff hist +1,641 N VASP Computing Density of States of YSZ New page: ===INPUT=== INCAR - 0 ionic relaxation step (actually it calculates 1F step) <pre> SYSTEM = YSZ +VAC Calculation (neutral) ISTART = 0 ISMEAR = 0 IBRION = 2 ALGO=Normal LREAL= Auto NPAR = ...
- 20:3120:31, 19 February 2009 diff hist +49 Tutorial:Members Only →Manuals for Group Members
13 February 2009
12 February 2009
- 05:0705:07, 12 February 2009 diff hist +164 m VASP Computing Bulk Modulus of YSZ →Analyze data
- 05:0405:04, 12 February 2009 diff hist +109 m Use of Ewald Summation in MD++ →Check the accuracy
- 04:5904:59, 12 February 2009 diff hist +1 m Use of Ewald Summation in MD++ →Compile
9 February 2009
- 23:4423:44, 9 February 2009 diff hist +1 m Use of Ewald Summation in MD++ No edit summary
- 23:4323:43, 9 February 2009 diff hist +26 m Use of Ewald Summation in MD++ →Check the accuracy
- 23:4223:42, 9 February 2009 diff hist +153 m Use of Ewald Summation in MD++ →Compile
- 23:3923:39, 9 February 2009 diff hist +579 m Use of Ewald Summation in MD++ →Compile
- 23:3323:33, 9 February 2009 diff hist +2,123 Use of Ewald Summation in MD++ →Compile
- 23:3023:30, 9 February 2009 diff hist 0 Use of Ewald Summation in MD++ →Compile
- 23:3023:30, 9 February 2009 diff hist 0 File:Autorun ysz Rcut test.txt uploaded a new version of "Image:Autorun ysz Rcut test.txt"
- 23:2823:28, 9 February 2009 diff hist 0 File:Autorun ysz Rcut test.txt uploaded a new version of "Image:Autorun ysz Rcut test.txt": Reverted to version as of 23:27, 9 February 2009
- 23:2823:28, 9 February 2009 diff hist 0 File:Autorun ysz Rcut test.txt uploaded a new version of "Image:Autorun ysz Rcut test.txt"
- 23:2723:27, 9 February 2009 diff hist −4 Use of Ewald Summation in MD++ →Compile
- 23:2723:27, 9 February 2009 diff hist 0 N File:Autorun ysz Rcut test.txt No edit summary
- 23:2623:26, 9 February 2009 diff hist +249 Use of Ewald Summation in MD++ →Compile
- 23:2123:21, 9 February 2009 diff hist 0 N File:Yes Rcut test.tcl.txt No edit summary
- 23:2023:20, 9 February 2009 diff hist +21 Use of Ewald Summation in MD++ →Compile
- 23:2023:20, 9 February 2009 diff hist +29 Use of Ewald Summation in MD++ →Compile
- 23:1723:17, 9 February 2009 diff hist +107 Use of Ewald Summation in MD++ →Compile
- 19:2219:22, 9 February 2009 diff hist +9 m VASP Computing Bulk Modulus of YSZ →Input files
6 February 2009
- 07:2707:27, 6 February 2009 diff hist −15 m VASP Computing Bulk Modulus of YSZ →Analyze data
- 07:2707:27, 6 February 2009 diff hist +192 VASP Computing Bulk Modulus of YSZ →Analyze data
- 07:2507:25, 6 February 2009 diff hist +108 VASP Computing Bulk Modulus of YSZ →Analyze data
- 07:2107:21, 6 February 2009 diff hist +165 VASP Computing Bulk Modulus of YSZ →Analyze data
- 07:1807:18, 6 February 2009 diff hist +20 VASP Computing Bulk Modulus of YSZ →Analyze data
- 07:1707:17, 6 February 2009 diff hist +483 N Fit a0B.m New page: function [a0, B] = fit_a0B( datafile ) %data = load('platt.B.dat'); data = load( datafile ); a = data(:,1); p = data(:,2); V = a.^3; [P1, S1] = polyfit(a, p, 1); [P2, S2] = polyfit(V, p... current
- 07:1607:16, 6 February 2009 diff hist +659 N Fit a0EB.m New page: function [a0, Ecoh, B] = fit_a0EB( datafile ) %data = load('Elatt.B.dat'); data = load( datafile ); a = data(:,1); E = data(:,3); V = a.^3; n = 11; % number of atoms in computational cel... current
- 07:1607:16, 6 February 2009 diff hist −46 VASP Computing Bulk Modulus of YSZ →Analyze data