User contributions for Rf614
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6 April 2017
- 08:4508:45, 6 April 2017 diff hist +42 Mod:Hunt Research Group/calendar No edit summary Tag: Visual edit
20 February 2017
- 15:4215:42, 20 February 2017 diff hist 0 Mod:Hunt Research Group/solvent →Solvent parameters for example solvents Tag: Visual edit
3 January 2017
- 10:4510:45, 3 January 2017 diff hist −28 Mod:Hunt Research Group/calendar →Calendar Tag: Visual edit
30 December 2016
- 11:4411:44, 30 December 2016 diff hist +2,045 Talk:Mod:Hunt Research Group/Calc XPS Code →Gen_Gelius_Spectrum.m
- 11:2211:22, 30 December 2016 diff hist +705 Talk:Mod:Hunt Research Group/Calc XPS Code No edit summary
- 11:1111:11, 30 December 2016 diff hist +1,733 Talk:Mod:Hunt Research Group/Calc XPS Code No edit summary
20 December 2016
- 12:2712:27, 20 December 2016 diff hist +14 Mod:Hunt Research Group/calendar →Calendar Tag: Visual edit
15 December 2016
- 17:4517:45, 15 December 2016 diff hist +14 Mod:Hunt Research Group/calendar →Calendar Tag: Visual edit
8 December 2016
- 12:1112:11, 8 December 2016 diff hist +95 Mod:Hunt Research Group/calendar →Calendar Tag: Visual edit
31 October 2016
18 October 2016
- 19:2219:22, 18 October 2016 diff hist +13 Mod:Hunt Research Group/calendar →Calendar Tag: Visual edit
10 October 2016
- 15:1915:19, 10 October 2016 diff hist +13 Mod:Hunt Research Group/calendar No edit summary Tag: Visual edit
- 15:1915:19, 10 October 2016 diff hist −344 Mod:Hunt Research Group/calendar No edit summary
28 September 2016
- 17:1617:16, 28 September 2016 diff hist +290 Talk:Mod:Hunt Research Group/Calc XPS Code →Plot_Atomic_Contribs_V3
- 17:1417:14, 28 September 2016 diff hist 0 N File:Plotted Atomic Contribs spd1 frag0.jpg No edit summary current
- 17:1317:13, 28 September 2016 diff hist 0 N File:Plotted Atomic Contribs spd0 frag1.jpg No edit summary current
- 17:1117:11, 28 September 2016 diff hist +33 N File:Plotted Atomic Contribs spd1 frag1.jpg merge_spd = 1 merge_fragments = 1 current
- 17:0517:05, 28 September 2016 diff hist +1,411 Talk:Mod:Hunt Research Group/Calc XPS Code No edit summary
- 15:1515:15, 28 September 2016 diff hist 0 File:Gelius closed shell code Aug2016.zip Rf614 uploaded a new version of File:Gelius closed shell code Aug2016.zip
- 15:1415:14, 28 September 2016 diff hist 0 File:Gelius open shell code Aug2016.zip Rf614 uploaded a new version of File:Gelius open shell code Aug2016.zip
26 September 2016
- 20:0320:03, 26 September 2016 diff hist +3,613 Talk:Mod:Hunt Research Group/Calc XPS Code No edit summary
- 19:4419:44, 26 September 2016 diff hist +68 N File:Other file DoS frag contribs.jpeg Alpha/Beta contribs to the DoS of Co(SCN)4 (1eV FWHM,30% lorenztian) current
- 19:2919:29, 26 September 2016 diff hist +45 N File:Other file DoS.jpeg Co_SCN4 Example DoS (1eV FWHM,30% lorenztian) current
22 September 2016
- 19:4919:49, 22 September 2016 diff hist +751 Talk:Mod:Hunt Research Group/Calc XPS Code No edit summary
- 19:3419:34, 22 September 2016 diff hist +180 Talk:Mod:Hunt Research Group/Calc XPS Code No edit summary
- 19:3319:33, 22 September 2016 diff hist +102 Talk:Mod:Hunt Research Group/Calc XPS Code →MLinpt.txt File
- 19:3119:31, 22 September 2016 diff hist +1,501 Talk:Mod:Hunt Research Group/Calc XPS Code No edit summary
- 19:1819:18, 22 September 2016 diff hist +953 Talk:Mod:Hunt Research Group/Calc XPS Code No edit summary
- 18:4518:45, 22 September 2016 diff hist +186 Talk:Mod:Hunt Research Group/Calc XPS Code No edit summary
21 September 2016
- 17:3017:30, 21 September 2016 diff hist +44 Talk:Mod:Hunt Research Group/Calc XPS Code →Creating your own input files
- 17:2917:29, 21 September 2016 diff hist +156 Talk:Mod:Hunt Research Group/Calc XPS Code →Creating your own input files
- 17:2817:28, 21 September 2016 diff hist +1,010 Talk:Mod:Hunt Research Group/Calc XPS Code →Creating your own input files
- 17:2117:21, 21 September 2016 diff hist +2,681 Talk:Mod:Hunt Research Group/Calc XPS Code →Creating your own input files
14 September 2016
- 15:0515:05, 14 September 2016 diff hist +16 Mod:Hunt Research Group/calendar →Calendar Tag: Visual edit
1 September 2016
- 20:1020:10, 1 September 2016 diff hist +23 Talk:Mod:Hunt Research Group/Calc XPS Code →Using the Example files
- 20:0920:09, 1 September 2016 diff hist +2,873 Talk:Mod:Hunt Research Group/Calc XPS Code →Using the Example files
- 19:4119:41, 1 September 2016 diff hist +258 Talk:Mod:Hunt Research Group/Calc XPS Code →"Installation" Instructions
30 August 2016
- 09:1809:18, 30 August 2016 diff hist +117 Talk:Mod:Hunt Research Group/Calc XPS Code →Links to Files
- 09:1709:17, 30 August 2016 diff hist +85 N File:Gelius closed shell code Aug2016.zip All files needed to calculate pDoS/XPS spectra for closed shell .fchk gaussian files.
- 09:0909:09, 30 August 2016 diff hist +74 N File:Gelius open shell code Aug2016.zip All code required to calculate XP spectra/pDoS from a gaussian .fchk file.
29 August 2016
- 18:1618:16, 29 August 2016 diff hist +2,078 Talk:Mod:Hunt Research Group/Calc XPS Code No edit summary
- 17:5617:56, 29 August 2016 diff hist +742 Talk:Mod:Hunt Research Group/Calc XPS Code No edit summary
- 17:5017:50, 29 August 2016 diff hist +252 N Talk:Mod:Hunt Research Group/Calc XPS Code Created page with "==Links to Files== Will put up soon. ==Introduction== The purpose of this code is to calculate partial density of states (pDoS) plots and Valence band x-ray photoelectron (XP..."
- 17:4717:47, 29 August 2016 diff hist +150 Mod:Hunt Research Group No edit summary
27 July 2016
- 09:1509:15, 27 July 2016 diff hist −1 Mod:Hunt Research Group/calendar No edit summary Tag: Visual edit
26 July 2016
- 15:1115:11, 26 July 2016 diff hist +70 Mod:Hunt Research Group/calendar No edit summary Tag: Visual edit
1 June 2016
- 18:0518:05, 1 June 2016 diff hist +129 Talk:Mod:Hunt Research Group/NBO Matlab Code →Links to files current
- 18:0518:05, 1 June 2016 diff hist +30 N File:BMIM Cl BB saveNBOs tight B3LYP 6311plgdp gd3bj.log Test file for NBO Matlab Code. current
- 17:4217:42, 1 June 2016 diff hist +840 Talk:Mod:Hunt Research Group/NBO Matlab Code →Running The Code
- 17:3217:32, 1 June 2016 diff hist +860 Talk:Mod:Hunt Research Group/NBO Matlab Code →The Output Table Format