User contributions
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- 15:20, 26 August 2021 (diff | hist) . . (0) . . N File:Si.PBEsol.1 ML.Fd-3m.buildin1.phonons.png (current)
- 15:19, 26 August 2021 (diff | hist) . . (0) . . N File:Si.PBEsol.1 ML.Fd-3m.buildin1.PDF.png (current)
- 15:19, 26 August 2021 (diff | hist) . . (+71) . . Silicon Slab Structural Relaxation (→PBEsol: Added section for phonons)
- 15:14, 26 August 2021 (diff | hist) . . (+29) . . Silicon Slab Structural Relaxation (→PBEsol)
- 14:58, 18 August 2021 (diff | hist) . . (+2) . . Silicon Slab Structural Relaxation (→Single Layer)
- 14:55, 18 August 2021 (diff | hist) . . (-295) . . Silicon Slab Structural Relaxation (Removed erroneous data)
- 12:13, 10 August 2021 (diff | hist) . . (+126) . . To-Do List (→Silicon Nanomembrane Transition Project)
- 14:52, 6 August 2021 (diff | hist) . . (+84) . . Silicon Slab Structural Relaxation (→Pair Distribution Functions)
- 14:43, 6 August 2021 (diff | hist) . . (0) . . File:Si.PBE.1 ML.Fm-3m.buildin3.PDF.png (Wparker uploaded a new version of "File:Si.PBE.1 ML.Fm-3m.buildin3.PDF.png") (current)
- 14:43, 6 August 2021 (diff | hist) . . (0) . . File:Si.PBE.1 ML.Fm-3m.buildin1.PDF.png (Wparker uploaded a new version of "File:Si.PBE.1 ML.Fm-3m.buildin1.PDF.png") (current)
- 14:42, 6 August 2021 (diff | hist) . . (0) . . File:Si.PBEsol.1 ML.Fd-3m.max7.PDF.png (Wparker uploaded a new version of "File:Si.PBE.1 ML.Fm-3m.max7.PDF.png")
- 14:42, 6 August 2021 (diff | hist) . . (0) . . File:Si.PBE.1 ML.Fm-3m.buildin4.PDF.png (Wparker uploaded a new version of "File:Si.PBE.1 ML.Fm-3m.buildin4.PDF.png") (current)
- 14:38, 6 August 2021 (diff | hist) . . (0) . . N File:Si.PBE.1 ML.Fm-3m.buildin4.PDF.png
- 14:37, 6 August 2021 (diff | hist) . . (0) . . N File:Si.PBE.1 ML.Fm-3m.buildin3.PDF.png
- 14:37, 6 August 2021 (diff | hist) . . (0) . . N File:Si.PBE.1 ML.Fm-3m.buildin2.PDF.png (current)
- 14:37, 6 August 2021 (diff | hist) . . (0) . . N File:Si.PBE.1 ML.Fm-3m.buildin1.PDF.png
- 14:36, 6 August 2021 (diff | hist) . . (0) . . N File:Si.PBEsol.1 ML.Fd-3m.max7.PDF.png
- 14:36, 6 August 2021 (diff | hist) . . (-889) . . Silicon Slab Structural Relaxation (→Pair Distribution Functions: Added links to PDF images)
- 12:59, 6 August 2021 (diff | hist) . . (+37) . . m Silicon Slab Structural Relaxation (→Single Layer: Created pair distribution function level-4 header)
- 16:08, 26 July 2021 (diff | hist) . . (+53) . . To-Do List (→Silicon Nanomembrane Transition Project)
- 16:04, 26 July 2021 (diff | hist) . . (+368) . . N To-Do List (Created page with "==Active== ===Silicon Nanomembrane Transition Project=== ====Figures To Make==== * KS bands/DOS (all layers; diamond & β-tin; PBE & SCAN) * ln(a) vs ln(c) [Poisson rati...")
- 10:17, 23 July 2021 (diff | hist) . . (+388) . . N Silicon Slab Structural Relaxation (Created table for displacement build-in tracking)
- 10:05, 23 July 2021 (diff | hist) . . (+66) . . Silicon Slab Calculations (Added link to structural relaxation page)
- 10:03, 23 July 2021 (diff | hist) . . (+7,282) . . N Silicon Slab Calculations (Created from corresponding wiki page on Sirius)
- 08:46, 1 June 2021 (diff | hist) . . (+85) . . N File:Si.Fd-3m 8-atom.PBEsol.freq.vdos.png (Phonon bands and density of states for 8-atom diamond-phase silicon using DFPT-PBEsol) (current)
- 08:44, 1 June 2021 (diff | hist) . . (+45) . . Silicon Bulk Slab Comparison
- 10:48, 22 May 2021 (diff | hist) . . (+86) . . N File:Si.I41 amd 8-atom.PBEsol.freq.vdos.png (Phonon bands and density of states for 8-atom beta-tin-phase silicon using DFPT-PBEsol) (current)
- 10:47, 22 May 2021 (diff | hist) . . (+7) . . Silicon Bulk Slab Comparison (→Phonon Bands and VDOS: Added 8-atom supercell bulk PBEsol figure)
- 16:50, 10 May 2021 (diff | hist) . . (-25) . . Silicon Bulk Slab Comparison
- 15:07, 10 May 2021 (diff | hist) . . (0) . . N File:Si.I41 amd-1ML.PBEsol.freq.vdos.png (current)
- 15:07, 10 May 2021 (diff | hist) . . (0) . . N File:Si.I41 amd.PBEsol.freq.vdos.png (current)
- 15:06, 10 May 2021 (diff | hist) . . (+1) . . m Silicon Bulk Slab Comparison
- 15:06, 10 May 2021 (diff | hist) . . (+110) . . Silicon Bulk Slab Comparison (→Phonon Bands and VDOS)
- 09:51, 4 May 2021 (diff | hist) . . (+108) . . N File:Si.I41 amd-1ML.freq.vdos.png (8-atom cell slab calculation of phonons in beta-tin-phase-based nanomembrane Si calculated with DFPT GGA-PBE) (current)
- 09:49, 4 May 2021 (diff | hist) . . (+89) . . N File:Si.I41 amd.freq.vdos.png (8-atom supercell calculation of phonons in beta-tin phase Si calculated with DFPT GGA-PBE) (current)
- 09:44, 4 May 2021 (diff | hist) . . (+294) . . N Silicon Bulk Slab Comparison (Created page with " ==Phonon Bands and VDOS== {|- border="1" ! rowspan ="2" | ! colspan="2" | Bulk ! colspan="2" | Slab (1 ML) |- ! Diamond ! Beta-tin ! Diamond ! Beta-tin |- ! LDA-PZ | | | | |-...")
- 09:41, 4 May 2021 (diff | hist) . . (+7,477) . . N Silicon (Created page with " * Slab calculations * Bulk-slab comparison * Parameter checks ==Crystal Structure...")
- 09:38, 4 May 2021 (diff | hist) . . (-50) . . Main Page
- 14:20, 11 September 2020 (diff | hist) . . (+6) . . Atomic DFT (Reformatted M, added S relationship) (current)
- 13:59, 11 September 2020 (diff | hist) . . (+452) . . Atomic DFT (→Electronic Spin State: Added LD1-OPIUM Comparison)
- 13:49, 11 September 2020 (diff | hist) . . (-2) . . m Atomic DFT
- 13:46, 11 September 2020 (diff | hist) . . (+91) . . Atomic DFT (→Hf)
- 13:37, 11 September 2020 (diff | hist) . . (+228) . . Atomic DFT (→Hf: Added reference configuration)
- 13:28, 11 September 2020 (diff | hist) . . (+434) . . Atomic DFT (→Electronic Spin State: Added PBE values)
- 13:21, 11 September 2020 (diff | hist) . . (+427) . . N Atomic DFT (Created page with "==Electronic Spin State== {|border="1" ! rowspan="2" | Method ! colspan="4" | ''E''<sub>total</sub> (eV) |- | 5''d''<sup>4</sup> 6''s''<sup>0</sup> 6''p''<sup>0</sup> | 5''d'...")
- 15:52, 19 August 2020 (diff | hist) . . (+81) . . N File:SiI41amdPBEPhononBandsVDOS.png (Phonon bands and density of states for beta-tin-phase Si calculated with DFPT-PBE) (current)
- 09:24, 19 August 2020 (diff | hist) . . (-7) . . User:Wparker (current)
- 09:18, 19 August 2020 (diff | hist) . . (+66) . . N File:Pt111 with CO icon.png (Icon version (150 x 160 pixels) of CO adsorption on Pt 111 surface) (current)
- 09:11, 19 August 2020 (diff | hist) . . (+48) . . N File:Pt111 with CO.png (Visualization of CO adsorption on Pt 111 surface) (current)
- 16:37, 18 August 2020 (diff | hist) . . (+22) . . N User:Wparker (Created page with "File:COonPt111.png")
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