User contributions for Xavier

4 September 2016

• 14:5914:59, 4 September 2016 diff hist 0‎ Including the Spin-Orbit Coupling ‎No edit summary

1 September 2016

• 18:0018:00, 1 September 2016 diff hist −16‎ Alpha-SiO2 ‎No edit summary
• 17:5917:59, 1 September 2016 diff hist −4‎ ICAMM Rennes 2016 ‎ →‎NMR calculations
• 17:5917:59, 1 September 2016 diff hist +4‎ ICAMM Rennes 2016 ‎ →‎NMR calculations
• 17:5417:54, 1 September 2016 diff hist +315‎ Alpha-AlF3 ‎No edit summary

31 August 2016

• 23:4723:47, 31 August 2016 diff hist +1‎ Determining the Magnetic Anisotropy ‎No edit summary
• 23:4723:47, 31 August 2016 diff hist −1‎ Determining the Magnetic Anisotropy ‎No edit summary
• 23:4623:46, 31 August 2016 diff hist +4‎ Determining the Magnetic Anisotropy ‎No edit summary
• 23:4423:44, 31 August 2016 diff hist +33‎ Determining the Magnetic Anisotropy ‎No edit summary
• 23:4323:43, 31 August 2016 diff hist +13‎ Including the Spin-Orbit Coupling ‎No edit summary
• 23:4223:42, 31 August 2016 diff hist +2‎ Estimation of J magnetic coupling ‎No edit summary
• 23:4123:41, 31 August 2016 diff hist 0‎ Estimation of J magnetic coupling ‎No edit summary
• 23:4023:40, 31 August 2016 diff hist +8‎ Estimation of J magnetic coupling ‎No edit summary
• 23:3823:38, 31 August 2016 diff hist +17‎ NiO GGA+U ‎No edit summary
• 23:3823:38, 31 August 2016 diff hist +1‎ NiO GGA+U ‎No edit summary
• 23:3723:37, 31 August 2016 diff hist +16‎ NiO GGA+U ‎No edit summary
• 23:3623:36, 31 August 2016 diff hist −97‎ Constraining the local magnetic moments ‎No edit summary
• 23:3623:36, 31 August 2016 diff hist −97‎ Determining the Magnetic Anisotropy ‎No edit summary
• 23:3523:35, 31 August 2016 diff hist +67‎ Determining the Magnetic Anisotropy ‎No edit summary
• 23:3323:33, 31 August 2016 diff hist −172‎ Determining the Magnetic Anisotropy ‎No edit summary
• 23:3123:31, 31 August 2016 diff hist −97‎ Including the Spin-Orbit Coupling ‎No edit summary
• 23:3123:31, 31 August 2016 diff hist −97‎ Estimation of J magnetic coupling ‎No edit summary
• 23:2923:29, 31 August 2016 diff hist −101‎ NiO HSE06 ‎No edit summary
• 23:2823:28, 31 August 2016 diff hist −97‎ NiO GGA+U ‎No edit summary
• 23:2823:28, 31 August 2016 diff hist −101‎ NiO GGA ‎No edit summary
• 18:4518:45, 31 August 2016 diff hist +10‎ Alpha-SiO2 ‎No edit summary
• 18:4418:44, 31 August 2016 diff hist +1,387‎ Alpha-AlF3 ‎No edit summary
• 18:3018:30, 31 August 2016 diff hist +1,219‎ Alpha-SiO2 ‎No edit summary

29 August 2016

• 15:3115:31, 29 August 2016 diff hist −1‎ Alpha-AlF3 ‎No edit summary
• 15:3115:31, 29 August 2016 diff hist +36‎ Alpha-AlF3 ‎No edit summary
• 15:2815:28, 29 August 2016 diff hist +184‎ Alpha-AlF3 ‎No edit summary
• 15:1715:17, 29 August 2016 diff hist +2,081‎ N Alpha-AlF3 ‎ Created page with "''<u>Exercise :</u>'' Determine the ¹⁷O C_q value and the Si and O schieldings. *INCAR <pre> SYSTEM = Al F3 GGA = PE ISTART = 1 ICHARG = 0 IN..."
• 15:0415:04, 29 August 2016 diff hist +21‎ Alpha-SiO2 ‎No edit summary
• 15:0015:00, 29 August 2016 diff hist +682‎ Alpha-SiO2 ‎No edit summary
• 14:5914:59, 29 August 2016 diff hist +1,720‎ N Alpha-SiO2 ‎ Created page with "''<u>Exercise :</u>'' C_q du ¹⁷O and screening of Si and O *INCAR <pre> SYSTEM = Si O2 GGA = PE ISTART = 1 ICHARG = 0..."
• 14:5014:50, 29 August 2016 diff hist −26‎ ICAMM Rennes 2016 ‎No edit summary
• 14:4714:47, 29 August 2016 diff hist +84‎ ICAMM Rennes 2016 ‎No edit summary
• 13:4713:47, 29 August 2016 diff hist +2‎ Including the Spin-Orbit Coupling ‎No edit summary
• 13:4613:46, 29 August 2016 diff hist +979‎ Including the Spin-Orbit Coupling ‎No edit summary
• 13:3913:39, 29 August 2016 diff hist −1‎ Including the Spin-Orbit Coupling ‎No edit summary
• 13:3813:38, 29 August 2016 diff hist +28‎ Including the Spin-Orbit Coupling ‎No edit summary

28 August 2016

• 14:5714:57, 28 August 2016 diff hist +1‎ Constraining the local magnetic moments ‎No edit summary
• 14:5714:57, 28 August 2016 diff hist +12‎ Constraining the local magnetic moments ‎No edit summary
• 14:5414:54, 28 August 2016 diff hist +84‎ Constraining the local magnetic moments ‎No edit summary
• 14:3814:38, 28 August 2016 diff hist +36‎ Constraining the local magnetic moments ‎No edit summary
• 14:2514:25, 28 August 2016 diff hist −171‎ Determining the Magnetic Anisotropy ‎No edit summary
• 14:2114:21, 28 August 2016 diff hist +2‎ Including the Spin-Orbit Coupling ‎No edit summary
• 14:2114:21, 28 August 2016 diff hist +202‎ Including the Spin-Orbit Coupling ‎No edit summary
• 14:1214:12, 28 August 2016 diff hist −1‎ Including the Spin-Orbit Coupling ‎No edit summary
• 14:1214:12, 28 August 2016 diff hist −2‎ Including the Spin-Orbit Coupling ‎No edit summary
• 14:1214:12, 28 August 2016 diff hist 0‎ Including the Spin-Orbit Coupling ‎No edit summary
• 14:1214:12, 28 August 2016 diff hist −29‎ Including the Spin-Orbit Coupling ‎No edit summary
• 14:1014:10, 28 August 2016 diff hist +5‎ Including the Spin-Orbit Coupling ‎No edit summary
• 14:0814:08, 28 August 2016 diff hist −6‎ Estimation of J magnetic coupling ‎No edit summary
• 14:0714:07, 28 August 2016 diff hist −22‎ Estimation of J magnetic coupling ‎No edit summary
• 14:0414:04, 28 August 2016 diff hist +2‎ NiO HSE06 ‎No edit summary
• 14:0314:03, 28 August 2016 diff hist +6‎ NiO HSE06 ‎No edit summary
• 14:0314:03, 28 August 2016 diff hist −22‎ NiO HSE06 ‎No edit summary
• 14:0214:02, 28 August 2016 diff hist −23‎ NiO GGA+U ‎No edit summary
• 14:0114:01, 28 August 2016 diff hist −22‎ NiO GGA ‎No edit summary
• 13:4913:49, 28 August 2016 diff hist +1‎ NiO HSE06 ‎No edit summary
• 13:4813:48, 28 August 2016 diff hist −3‎ NiO HSE06 ‎No edit summary
• 13:4713:47, 28 August 2016 diff hist +70‎ NiO HSE06 ‎No edit summary
• 13:4513:45, 28 August 2016 diff hist +21‎ NiO HSE06 ‎No edit summary
• 13:4313:43, 28 August 2016 diff hist +123‎ NiO GGA+U ‎No edit summary
• 13:2913:29, 28 August 2016 diff hist +3‎ NiO GGA+U ‎No edit summary
• 13:2413:24, 28 August 2016 diff hist +21‎ NiO GGA+U ‎No edit summary
• 13:2213:22, 28 August 2016 diff hist −9‎ NiO GGA+U ‎No edit summary
• 13:2013:20, 28 August 2016 diff hist +211‎ NiO GGA ‎No edit summary
• 13:1613:16, 28 August 2016 diff hist +22‎ NiO GGA ‎No edit summary
• 11:4211:42, 28 August 2016 diff hist +22‎ Estimation of J magnetic coupling ‎No edit summary
• 11:4111:41, 28 August 2016 diff hist +434‎ Estimation of J magnetic coupling ‎No edit summary

25 August 2016

• 16:0216:02, 25 August 2016 diff hist +123‎ ICAMM Rennes 2016 HOWTO ‎No edit summary
• 15:5515:55, 25 August 2016 diff hist +120‎ Constraining the local magnetic moments ‎No edit summary
• 15:5315:53, 25 August 2016 diff hist +137‎ Constraining the local magnetic moments ‎No edit summary
• 15:4915:49, 25 August 2016 diff hist +87‎ Determining the Magnetic Anisotropy ‎No edit summary
• 15:4815:48, 25 August 2016 diff hist +318‎ Determining the Magnetic Anisotropy ‎No edit summary
• 15:3915:39, 25 August 2016 diff hist +40‎ Determining the Magnetic Anisotropy ‎No edit summary
• 15:3515:35, 25 August 2016 diff hist −28‎ Including the Spin-Orbit Coupling ‎No edit summary
• 15:3415:34, 25 August 2016 diff hist −45‎ NiO GGA+U ‎No edit summary
• 15:3315:33, 25 August 2016 diff hist −33‎ NiO GGA+U ‎No edit summary
• 15:3315:33, 25 August 2016 diff hist +90‎ NiO GGA+U ‎No edit summary
• 15:3115:31, 25 August 2016 diff hist +107‎ Estimation of J magnetic coupling ‎No edit summary
• 15:2815:28, 25 August 2016 diff hist +1‎ NiO GGA+U ‎No edit summary
• 15:2815:28, 25 August 2016 diff hist +113‎ NiO GGA+U ‎No edit summary
• 14:1014:10, 25 August 2016 diff hist +93‎ Determining the Magnetic Anisotropy ‎No edit summary
• 14:0714:07, 25 August 2016 diff hist +56‎ Determining the Magnetic Anisotropy ‎No edit summary
• 14:0314:03, 25 August 2016 diff hist +435‎ Determining the Magnetic Anisotropy ‎No edit summary
• 13:3813:38, 25 August 2016 diff hist +521‎ Determining the Magnetic Anisotropy ‎No edit summary
• 13:2113:21, 25 August 2016 diff hist +1‎ NiO GGA+U ‎No edit summary
• 13:2113:21, 25 August 2016 diff hist +33‎ NiO GGA+U ‎No edit summary
• 11:5911:59, 25 August 2016 diff hist +25‎ Estimation of J magnetic coupling ‎No edit summary
• 11:4811:48, 25 August 2016 diff hist +117‎ Estimation of J magnetic coupling ‎No edit summary
• 11:4011:40, 25 August 2016 diff hist +1‎ NiO HSE06 ‎No edit summary
• 11:3911:39, 25 August 2016 diff hist +176‎ NiO HSE06 ‎No edit summary
• 11:3211:32, 25 August 2016 diff hist +3‎ NiO GGA+U ‎No edit summary
• 11:3211:32, 25 August 2016 diff hist +238‎ NiO GGA+U ‎No edit summary
• 10:1410:14, 25 August 2016 diff hist +152‎ ICAMM Rennes 2016 HOWTO ‎No edit summary
• 08:3808:38, 25 August 2016 diff hist 0‎ Determining the Magnetic Anisotropy ‎No edit summary
• 08:3708:37, 25 August 2016 diff hist 0‎ Including the Spin-Orbit Coupling ‎No edit summary
• 08:3708:37, 25 August 2016 diff hist 0‎ Estimation of J magnetic coupling ‎No edit summary
• 08:3708:37, 25 August 2016 diff hist 0‎ NiO HSE06 ‎No edit summary
• 08:3608:36, 25 August 2016 diff hist 0‎ NiO GGA+U ‎No edit summary
• 08:3608:36, 25 August 2016 diff hist 0‎ NiO GGA ‎No edit summary

24 August 2016

• 17:0817:08, 24 August 2016 diff hist +389‎ Determining the Magnetic Anisotropy ‎No edit summary
• 17:0317:03, 24 August 2016 diff hist +1,309‎ N Determining the Magnetic Anisotropy ‎ Created page with "Description: Magnetocrystalline Anisotropy Energy ---- *INCAR <pre> NiO GGA+U MAE SYSTEM = "NiO" Electronic minimization ENCUT = 300 EDIFF = 1E-6..."
• 16:5616:56, 24 August 2016 diff hist +41‎ ICAMM Rennes 2016 ‎ →‎Magnetism on NiO
• 16:5316:53, 24 August 2016 diff hist +139‎ Constraining the local magnetic moments ‎No edit summary
• 16:5116:51, 24 August 2016 diff hist +81‎ Constraining the local magnetic moments ‎No edit summary
• 16:4516:45, 24 August 2016 diff hist +1,117‎ N Constraining the local magnetic moments ‎ Created page with "Description: Constraining the local magnetic moments on NiO in the GGA+U (Dudarev's approach). ---- *INCAR <pre> NiO GGA+U Constr. SYSTEM = "NiO" Electronic minimizatio..."
• 16:4116:41, 24 August 2016 diff hist +148‎ NiO GGA+U ‎No edit summary
• 16:3916:39, 24 August 2016 diff hist +152‎ Estimation of J magnetic coupling ‎No edit summary
• 16:3516:35, 24 August 2016 diff hist +45‎ Estimation of J magnetic coupling ‎No edit summary
• 16:3216:32, 24 August 2016 diff hist +5‎ Estimation of J magnetic coupling ‎No edit summary
• 16:3216:32, 24 August 2016 diff hist +12‎ Estimation of J magnetic coupling ‎No edit summary
• 16:3116:31, 24 August 2016 diff hist 0‎ Estimation of J magnetic coupling ‎No edit summary
• 16:3116:31, 24 August 2016 diff hist −8‎ Including the Spin-Orbit Coupling ‎No edit summary
• 16:3016:30, 24 August 2016 diff hist +4‎ Including the Spin-Orbit Coupling ‎No edit summary
• 16:2416:24, 24 August 2016 diff hist +1‎ Including the Spin-Orbit Coupling ‎No edit summary
• 16:2416:24, 24 August 2016 diff hist +5‎ Including the Spin-Orbit Coupling ‎No edit summary
• 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:"