User contributions for Karsai
14 November 2019
- 14:1814:18, 14 November 2019 diff hist −44 Spin-orbit coupling in a Ni monolayer →Download current
- 14:1814:18, 14 November 2019 diff hist −44 Spin-orbit coupling in a Fe monolayer →Download current
- 14:1814:18, 14 November 2019 diff hist −127 Si HSE bandstructure →Download current
- 14:1714:17, 14 November 2019 diff hist 0 N File:Si HSE band.tgz No edit summary
- 14:1714:17, 14 November 2019 diff hist −44 Si bandstructure →Download current
- 14:1714:17, 14 November 2019 diff hist −43 Plotting the BSE fatband structure of Si →References current
- 14:1614:16, 14 November 2019 diff hist −44 Partial DOS of CO on Ni 111 surface →Download current
- 14:1614:16, 14 November 2019 diff hist −44 O dimer →Download current
- 14:1614:16, 14 November 2019 diff hist −44 O atom spinpolarized low symmetry →Download current
- 14:1614:16, 14 November 2019 diff hist −44 O atom spinpolarized →Download current
- 14:1214:12, 14 November 2019 diff hist −127 NiO HSE06 →Download
- 14:1214:12, 14 November 2019 diff hist 0 N File:Nio hse06.tgz No edit summary current
- 14:1014:10, 14 November 2019 diff hist −127 NiO GGA+U →Download
- 14:1014:10, 14 November 2019 diff hist 0 N File:Nio gga+u.tgz No edit summary current
- 14:0914:09, 14 November 2019 diff hist −127 NiO GGA →Download current
- 14:0914:09, 14 November 2019 diff hist 0 N File:Nio gga.tgz No edit summary current
- 14:0814:08, 14 November 2019 diff hist −44 NiO →Download current
- 13:5613:56, 14 November 2019 diff hist −44 Ni 111 surface relaxation →Download current
- 13:5513:55, 14 November 2019 diff hist −44 Ni 111 surface high precision →Download current
- 13:5513:55, 14 November 2019 diff hist −44 Ni 100 surface relaxation →Download current
- 13:5513:55, 14 November 2019 diff hist −44 Ni 100 surface DOS →Download current
- 13:5513:55, 14 November 2019 diff hist −43 Ni 100 surface bandstructure →Download current
- 13:5513:55, 14 November 2019 diff hist −44 MgO optimum mixing →Download
- 13:4713:47, 14 November 2019 diff hist −127 Including the Spin-Orbit Coupling →Download
- 13:4713:47, 14 November 2019 diff hist 0 N File:Nio SOC.tgz No edit summary current
- 13:4713:47, 14 November 2019 diff hist −45 Improving the dielectric function →References current
- 13:4613:46, 14 November 2019 diff hist −44 H2O vibration →Download current
- 13:4613:46, 14 November 2019 diff hist −238 H2O molecular dynamics →Download current
- 13:4613:46, 14 November 2019 diff hist −44 H2O →Download current
- 13:2513:25, 14 November 2019 diff hist −44 Graphite TS binding energy →References current
- 13:2513:25, 14 November 2019 diff hist −44 Graphite MBD binding energy →References current
- 13:2513:25, 14 November 2019 diff hist −44 Graphite interlayer distance →Download current
- 13:2513:25, 14 November 2019 diff hist −44 Fcc Si bandstructure →Download
- 13:2413:24, 14 November 2019 diff hist −44 Fcc Si DOS →Download current
- 13:2413:24, 14 November 2019 diff hist −44 Fcc Si →Download current
- 13:2413:24, 14 November 2019 diff hist −44 Fcc Ni DOS with hybrid functional →Download
- 13:2313:23, 14 November 2019 diff hist −127 Fcc Ni DOS →Download current
- 13:2313:23, 14 November 2019 diff hist 0 N File:2 8 fccNi dos.tgz No edit summary current
- 13:2213:22, 14 November 2019 diff hist −44 Fcc Ni (revisited) →Download
- 13:2213:22, 14 November 2019 diff hist −44 Fcc Ni →Download current
- 13:2213:22, 14 November 2019 diff hist −127 Estimation of J magnetic coupling →Download
- 13:2113:21, 14 November 2019 diff hist 0 N File:Nio Jcoupl.tgz No edit summary current
- 13:2113:21, 14 November 2019 diff hist −44 Equilibrium volume of Si in the RPA →Download current
- 13:2113:21, 14 November 2019 diff hist −43 Dielectric properties of SiC →Download current
- 13:2013:20, 14 November 2019 diff hist −42 Dielectric properties of Si using BSE →Download current
- 13:2013:20, 14 November 2019 diff hist −44 Dielectric properties of Si →Download current
- 13:2013:20, 14 November 2019 diff hist −127 Determining the Magnetic Anisotropy →Download
- 13:2013:20, 14 November 2019 diff hist 0 N File:Nio noSOC.tgz No edit summary current
- 13:1913:19, 14 November 2019 diff hist −43 CO partial DOS →Download current
- 13:1813:18, 14 November 2019 diff hist −44 CO →Download current
- 13:1813:18, 14 November 2019 diff hist −33 Calculate U for LSDA+U →Download
- 13:1713:17, 14 November 2019 diff hist 0 N File:NiO calcU.tgz No edit summary current
- 13:1713:17, 14 November 2019 diff hist −43 Calculate U for LSDA+U →References
- 13:1613:16, 14 November 2019 diff hist −43 At and mol further No edit summary current
- 13:1613:16, 14 November 2019 diff hist −127 Alpha-SiO2 →Download current
- 13:1513:15, 14 November 2019 diff hist 0 N File:SiO2 NMR.tgz No edit summary current
- 13:1513:15, 14 November 2019 diff hist −33 Alpha-AlF3 →Download current
- 13:1413:14, 14 November 2019 diff hist 0 N File:AlF3 NMR.tgz No edit summary current
- 13:1413:14, 14 November 2019 diff hist −94 Alpha-AlF3 →Download
- 13:1313:13, 14 November 2019 diff hist −34 Adsorption of H2O on TiO2 No edit summary current
- 13:1313:13, 14 November 2019 diff hist 0 N File:Tutorial h2o on tio2.pdf No edit summary current
- 13:0713:07, 14 November 2019 diff hist −33 Adsorption of H2O on TiO2 No edit summary
- 13:0613:06, 14 November 2019 diff hist 0 N File:H2o on tio2.tgz No edit summary current
- 10:0010:00, 14 November 2019 diff hist −66 Collective jumps of a Pt adatom on fcc-Pt (001): Nudged Elastic Band Calculation →Downloads current
- 10:0010:00, 14 November 2019 diff hist 0 N File:Pt NEB fast.tgz No edit summary current
- 09:5909:59, 14 November 2019 diff hist 0 N File:Pt NEB.tgz No edit summary current
- 09:5909:59, 14 November 2019 diff hist −33 STM of graphene →Download
- 09:5909:59, 14 November 2019 diff hist −33 STM of graphite →Download
- 09:5809:58, 14 November 2019 diff hist 0 N File:Graphene STM.tgz No edit summary current
- 09:5809:58, 14 November 2019 diff hist 0 N File:Graphite STM.tgz No edit summary current
- 09:5809:58, 14 November 2019 diff hist −33 Vibrational frequencies of CO on Ni 111 surface →Download
- 09:5709:57, 14 November 2019 diff hist 0 N File:COonNi111 freq.tgz No edit summary current
- 09:5709:57, 14 November 2019 diff hist −33 Partial DOS of CO on Ni 111 surface →Download
- 09:5709:57, 14 November 2019 diff hist 0 N File:COonNi111 LDOS.tgz No edit summary current
- 09:5609:56, 14 November 2019 diff hist −33 Ni 111 surface high precision →Download
- 09:5609:56, 14 November 2019 diff hist 0 N File:Ni111clean 400eV.tgz No edit summary current
- 09:5509:55, 14 November 2019 diff hist −33 CO on Ni 111 surface →Download current
- 09:5509:55, 14 November 2019 diff hist 0 N File:COonNi111 rel.tgz No edit summary current
- 09:5409:54, 14 November 2019 diff hist −33 Ni 111 surface relaxation →Download
- 09:5409:54, 14 November 2019 diff hist 0 N File:Ni111clean rel.tgz No edit summary current
- 09:5309:53, 14 November 2019 diff hist −33 Ni 100 surface bandstructure →Download
- 09:5309:53, 14 November 2019 diff hist 0 N File:Ni100clean band.tgz No edit summary current
- 09:5309:53, 14 November 2019 diff hist −33 Ni 100 surface DOS →Download
- 09:5209:52, 14 November 2019 diff hist 0 N File:Ni100clean LDOS.tgz No edit summary current
- 09:5209:52, 14 November 2019 diff hist −33 Ni 100 surface relaxation →Download
- 09:5109:51, 14 November 2019 diff hist 0 N File:Ni100clean rel.tgz No edit summary current
- 09:5109:51, 14 November 2019 diff hist −33 Ionic contributions to the frequency dependent dielectric function of NaCl →Download
- 09:5009:50, 14 November 2019 diff hist 0 N File:NaCl dielectric.tgz No edit summary current
- 09:5009:50, 14 November 2019 diff hist −33 Dielectric properties of Si →Download
- 09:5009:50, 14 November 2019 diff hist 0 N File:Si dielectric.tgz No edit summary current
- 09:4909:49, 14 November 2019 diff hist −33 Dielectric properties of SiC →Download
- 09:4909:49, 14 November 2019 diff hist 0 N File:SiC dielectric.tgz No edit summary current
- 09:4609:46, 14 November 2019 diff hist −33 Nuclephile Substitution CH3Cl - BM →Download
- 09:4609:46, 14 November 2019 diff hist −33 Nuclephile Substitution CH3Cl - SG →Download
- 09:4509:45, 14 November 2019 diff hist −33 Nuclephile Substitution CH3Cl - mMD3 →Download
- 09:4509:45, 14 November 2019 diff hist −33 Nuclephile Substitution CH3Cl - mMD2 →Download current
- 09:4509:45, 14 November 2019 diff hist −33 Nuclephile Substitution CH3Cl - mMD1 →Download current
- 09:4409:44, 14 November 2019 diff hist −33 Nucleophile Substitution CH3Cl - Standard MD →Download current
- 09:4409:44, 14 November 2019 diff hist −33 Liquid Si - Freezing →Download
- 09:4309:43, 14 November 2019 diff hist −33 Liquid Si - Standard MD →Download current