User contributions for Xavier
24 August 2016
- 16:2416:24, 24 August 2016 diff hist +6 Including the Spin-Orbit Coupling No edit summary
- 16:2216:22, 24 August 2016 diff hist +5 Including the Spin-Orbit Coupling No edit summary
- 16:2216:22, 24 August 2016 diff hist +20 Including the Spin-Orbit Coupling No edit summary
- 16:2116:21, 24 August 2016 diff hist +1,079 N Including the Spin-Orbit Coupling Created page with "Description: Spin-Orbit Coupling (SOC) included in the AFM NiO in the GGA+U (Dudarev's approach). ---- *INCAR <pre> NiO GGA+U AFM SYSTEM = "NiO" Electronic minimization..."
- 16:1616:16, 24 August 2016 diff hist +1,187 N Estimation of J magnetic coupling Created page with "Description: Estimation of the J magnetic coupling using the GGA+U method (Dudarev's approach). Using the relation J = (EFM - EAFM) / 4, antiferromagnetic (AFM) and ferromagn..."
- 16:1116:11, 24 August 2016 diff hist +1 NiO HSE06 No edit summary
- 16:1116:11, 24 August 2016 diff hist +4 NiO HSE06 No edit summary
- 16:1016:10, 24 August 2016 diff hist +2 NiO GGA+U No edit summary
- 16:1016:10, 24 August 2016 diff hist +8 NiO GGA+U No edit summary
- 16:0916:09, 24 August 2016 diff hist +4 NiO GGA+U No edit summary
- 16:0916:09, 24 August 2016 diff hist +1 NiO GGA+U No edit summary
- 16:0916:09, 24 August 2016 diff hist +4 NiO GGA+U No edit summary
- 16:0816:08, 24 August 2016 diff hist +1 NiO GGA No edit summary
- 16:0816:08, 24 August 2016 diff hist +1 NiO GGA No edit summary
- 16:0816:08, 24 August 2016 diff hist −1 NiO GGA No edit summary
- 16:0816:08, 24 August 2016 diff hist −1 NiO GGA No edit summary
- 16:0816:08, 24 August 2016 diff hist +5 NiO GGA No edit summary
- 16:0716:07, 24 August 2016 diff hist −13 ICAMM Rennes 2016 →Magnetism on NiO
- 16:0316:03, 24 August 2016 diff hist +2 NiO HSE06 No edit summary
- 16:0216:02, 24 August 2016 diff hist −1 NiO GGA No edit summary
- 16:0116:01, 24 August 2016 diff hist −1 NiO GGA+U No edit summary
- 16:0016:00, 24 August 2016 diff hist +754 N NiO GGA Created page with "*INCAR <pre> NiO LSDA AFM SYSTEM = "NiO" Electronic minimization ENCUT = 300 EDIFF = 1E-4 LORBIT = 11 LREAL = .False. ISTART = 0 NELMIN = 6 DOS I..."
- 16:0016:00, 24 August 2016 diff hist −1 ICAMM Rennes 2016 →Magnetism on NiO
- 15:5915:59, 24 August 2016 diff hist +957 N NiO GGA+U Created page with "Description: AFM NiO in the GGA+U (Dudarev's approach). ---- *INCAR <pre> NiO GGA+U AFM SYSTEM = "NiO" Electronic minimization ENCUT = 300 EDIFF = 1E-4 LORBI..."
- 15:5915:59, 24 August 2016 diff hist −3 ICAMM Rennes 2016 →Magnetism on NiO
- 15:5815:58, 24 August 2016 diff hist −12 ICAMM Rennes 2016 →Magnetism on NiO
- 15:5715:57, 24 August 2016 diff hist +12 ICAMM Rennes 2016 →Magnetism on NiO
- 15:4715:47, 24 August 2016 diff hist −4 NiO LSDA+U No edit summary
- 15:4715:47, 24 August 2016 diff hist −75 NiO LSDA+U No edit summary
- 15:4115:41, 24 August 2016 diff hist −2 ICAMM Rennes 2016 →Magnetism on NiO
- 15:4015:40, 24 August 2016 diff hist +4 ICAMM Rennes 2016 →Magnetism on NiO
- 15:3815:38, 24 August 2016 diff hist +79 NiO LSDA+U No edit summary
- 15:3615:36, 24 August 2016 diff hist −65 NiO LSDA+U No edit summary
- 15:2815:28, 24 August 2016 diff hist +935 N NiO HSE06 Created page with "Description: Hybrid functional calculation using the HSE For other hybrid functionals ---- *INCAR <pre> NiO HSE06 AFM SYSTEM = "NiO" Elect..."
- 15:2115:21, 24 August 2016 diff hist +64 NiO LSDA+U No edit summary
- 14:3614:36, 24 August 2016 diff hist +208 ICAMM Rennes 2016 No edit summary
- 08:4408:44, 24 August 2016 diff hist +43 ICAMM Rennes 2016 HOWTO No edit summary
23 August 2016
- 16:2616:26, 23 August 2016 diff hist +180 ICAMM Rennes 2016 HOWTO No edit summary
- 16:2316:23, 23 August 2016 diff hist +104 ICAMM Rennes 2016 HOWTO No edit summary
- 16:2016:20, 23 August 2016 diff hist +101 ICAMM Rennes 2016 HOWTO No edit summary
- 16:1816:18, 23 August 2016 diff hist +92 Bandstructure of Si in GW (VASP2WANNIER90) →Obtain bandstructure (Wannier interpolation)
- 16:0316:03, 23 August 2016 diff hist +1 ICAMM Rennes 2016 HOWTO No edit summary
- 16:0216:02, 23 August 2016 diff hist +6 ICAMM Rennes 2016 HOWTO No edit summary
- 16:0216:02, 23 August 2016 diff hist +108 ICAMM Rennes 2016 HOWTO No edit summary
- 15:2715:27, 23 August 2016 diff hist +117 ICAMM Rennes 2016 HOWTO No edit summary
- 15:2215:22, 23 August 2016 diff hist +150 ICAMM Rennes 2016 HOWTO No edit summary
- 15:1815:18, 23 August 2016 diff hist −8 ICAMM Rennes 2016 HOWTO No edit summary
- 15:1815:18, 23 August 2016 diff hist +140 ICAMM Rennes 2016 HOWTO No edit summary
- 15:1415:14, 23 August 2016 diff hist +644 ICAMM Rennes 2016 HOWTO No edit summary
- 14:5614:56, 23 August 2016 diff hist +122 N ICAMM Rennes 2016 HOWTO Created page with "Here is a brief tutorial on how to run a calculation and how to run post-traitment tools * To run the a vasp calculation:"