User contributions for Cesare

15:0115:01, 8 June 2012 diff hist +1,947‎ Si bandstructure ‎No edit summary
14:5614:56, 8 June 2012 diff hist +1‎ Si bandstructure ‎No edit summary
14:5514:55, 8 June 2012 diff hist −1‎ Si bandstructure ‎No edit summary
14:5414:54, 8 June 2012 diff hist +653‎ Si bandstructure ‎No edit summary
14:5014:50, 8 June 2012 diff hist +10‎ Si bandstructure ‎No edit summary
14:4914:49, 8 June 2012 diff hist +3,590‎ Si bandstructure ‎No edit summary
14:4814:48, 8 June 2012 diff hist +1,122‎ Si bandstructure ‎No edit summary
14:4514:45, 8 June 2012 diff hist +20‎ Si bandstructure ‎No edit summary
14:4314:43, 8 June 2012 diff hist +78‎ Si bandstructure ‎No edit summary
14:4314:43, 8 June 2012 diff hist −50‎ Si bandstructure ‎No edit summary
14:3814:38, 8 June 2012 diff hist +899‎ N Si bandstructure ‎ Created page with 'Description: Bandstructure for Si within DFT+HF ---- *INCAR <pre> ## Do a HSE hybrid functional banstructure ## calculation with (i) the KPOINTS.HSE.G-X file ## and (2) using V…'
14:0914:09, 8 June 2012 diff hist 0‎ MgO optimum mixing ‎ →‎Download
14:0114:01, 8 June 2012 diff hist +254‎ MgO optimum mixing ‎No edit summary
08:5908:59, 8 June 2012 diff hist 0‎ Bandgap of Si using different DFT+HF methods ‎ →‎Download
08:5608:56, 8 June 2012 diff hist +980‎ N MgO optimum mixing ‎ Created page with 'Description: find optimum HSE mixing parameter for MgO ---- *INCAR <pre> ############################################## ## Optimum HSE mixing parameter (AEXX) for MgO ## Expt g…'
08:3208:32, 8 June 2012 diff hist 0‎ Bandgap of Si using different DFT+HF methods ‎ →‎Download
08:3008:30, 8 June 2012 diff hist +1,394‎ N Bandgap of Si using different DFT+HF methods ‎ Created page with 'Description: Bandgap of Si using different DFT+HF schemes (PBE, B3LYP, PBE0, HSE06, and HF) ---- *INCAR <pre> ## Better preconverge with PBE first! ## Selects the B3LYP hybrid …'

8 June 2012