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 <sup>17</sup>O C<sub>q</sub> 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<sub>q</sub> du <sup>17</sup>O 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:"