User contributions for Svijay

16 October 2024

• 15:5315:53, 16 October 2024 diff hist +23‎ Construction:Dipole correction applied to defects and charged defects ‎ →‎Correction scheme
• 15:5215:52, 16 October 2024 diff hist −1‎ Construction:Dipole correction applied to defects and charged defects ‎ →‎Step 5b: Determine the corrected monopole-quadrupole energy and dipole-dipole interaction energy
• 15:5215:52, 16 October 2024 diff hist +967‎ Construction:Dipole correction applied to defects and charged defects ‎ →‎Correction scheme
• 15:4315:43, 16 October 2024 diff hist +566‎ Construction:Dipole correction applied to defects and charged defects ‎ →‎Correction scheme
• 15:3915:39, 16 October 2024 diff hist +243‎ Construction:Dipole correction applied to defects and charged defects ‎ →‎Correction scheme
• 15:3615:36, 16 October 2024 diff hist +2‎ Construction:Dipole correction applied to defects and charged defects ‎ →‎Correction scheme
• 15:3415:34, 16 October 2024 diff hist +386‎ Construction:Dipole correction applied to defects and charged defects ‎ →‎Correction scheme
• 15:3115:31, 16 October 2024 diff hist +360‎ Construction:Dipole correction applied to defects and charged defects ‎ →‎Correction scheme
• 15:2315:23, 16 October 2024 diff hist +36‎ Construction:Dipole correction applied to defects and charged defects ‎ →‎Correction scheme
• 15:0715:07, 16 October 2024 diff hist −5‎ Construction:Dipole correction applied to defects and charged defects ‎ →‎Step 4: Obtain the defect induced quadrupole moment
• 15:0615:06, 16 October 2024 diff hist +400‎ Construction:Dipole correction applied to defects and charged defects ‎ →‎Correction scheme
• 14:5614:56, 16 October 2024 diff hist −22‎ Construction:Dipole correction applied to defects and charged defects ‎ →‎Step 3: Perform a calculation with the dipole correction on the bulk structure
• 14:5614:56, 16 October 2024 diff hist +307‎ Construction:Dipole correction applied to defects and charged defects ‎ →‎Correction scheme
• 14:5014:50, 16 October 2024 diff hist +203‎ Construction:Dipole correction applied to defects and charged defects ‎ →‎Step 2: Perform a calculation with the dipole correction
• 14:4914:49, 16 October 2024 diff hist +310‎ Construction:Dipole correction applied to defects and charged defects ‎ →‎Step 1: Compute the dielectric constant
• 14:3814:38, 16 October 2024 diff hist 0‎ Construction:Dipole correction applied to defects and charged defects ‎ →‎Correction scheme
• 14:3814:38, 16 October 2024 diff hist +256‎ Construction:Dipole correction applied to defects and charged defects ‎No edit summary
• 14:2914:29, 16 October 2024 diff hist +43‎ Construction:Dipole correction applied to defects and charged defects ‎ →‎Relevant systems for electrostatic corrections
• 14:2714:27, 16 October 2024 diff hist +82‎ Construction:Dipole correction applied to defects and charged defects ‎ →‎Relevant systems for electrostatic corrections
• 14:2614:26, 16 October 2024 diff hist −2‎ Construction:Dipole correction applied to defects and charged defects ‎No edit summary
• 14:2614:26, 16 October 2024 diff hist +279‎ Construction:Dipole correction applied to defects and charged defects ‎ →‎Relevant systems for electrostatic corrections
• 14:2114:21, 16 October 2024 diff hist +53‎ Construction:Dipole correction applied to defects and charged defects ‎No edit summary
• 14:2014:20, 16 October 2024 diff hist −2‎ Construction:Dipole correction applied to defects and charged defects ‎No edit summary
• 14:2014:20, 16 October 2024 diff hist +1‎ Construction:Dipole correction applied to defects and charged defects ‎No edit summary
• 14:2014:20, 16 October 2024 diff hist +227‎ Construction:Dipole correction applied to defects and charged defects ‎No edit summary
• 14:1514:15, 16 October 2024 diff hist +245‎ Construction:Dipole correction applied to defects and charged defects ‎No edit summary
• 14:1214:12, 16 October 2024 diff hist +109‎ N Construction:Dipole correction applied to defects and charged defects ‎ Created page with "Energies of charged defects in semiconductors converge very slowly with respect to the size of the supercell."
• 13:4813:48, 16 October 2024 diff hist −5‎ PLUGINS/LOCAL POTENTIAL ‎No edit summary
• 13:4813:48, 16 October 2024 diff hist +142‎ Plugins ‎No edit summary
• 13:4613:46, 16 October 2024 diff hist −1‎ PLUGINS/OCCUPANCIES ‎ →‎Modifying quantities
• 13:4613:46, 16 October 2024 diff hist +66‎ PLUGINS/OCCUPANCIES ‎ →‎Modifying quantities
• 13:4613:46, 16 October 2024 diff hist +52‎ PLUGINS/OCCUPANCIES ‎ →‎Expected inputs
• 13:4513:45, 16 October 2024 diff hist +19‎ PLUGINS/FORCE AND STRESS ‎ →‎Modifying quantities
• 13:4513:45, 16 October 2024 diff hist +48‎ PLUGINS/FORCE AND STRESS ‎ →‎Modifying quantities
• 13:4413:44, 16 October 2024 diff hist +52‎ PLUGINS/FORCE AND STRESS ‎ →‎Expected inputs
• 13:4213:42, 16 October 2024 diff hist +1‎ Charged systems with density functional theory ‎ →‎Divergences in charged calculations
• 13:4013:40, 16 October 2024 diff hist +4‎ Charged systems with density functional theory ‎ →‎Treating divergence in charge neutral calculations
• 13:4013:40, 16 October 2024 diff hist +20‎ Charged systems with density functional theory ‎ →‎Treating divergence in charge neutral calculations
• 13:3913:39, 16 October 2024 diff hist −4‎ Charged systems with density functional theory ‎ →‎Treating divergence in charge neutral calculations
• 13:3813:38, 16 October 2024 diff hist +8‎ Charged systems with density functional theory ‎No edit summary
• 13:3713:37, 16 October 2024 diff hist +4‎ Charged systems with density functional theory ‎ →‎Treating charged systems in practice
• 13:3613:36, 16 October 2024 diff hist +3‎ Charged systems with density functional theory ‎ →‎Divergences in charged calculations
• 13:3513:35, 16 October 2024 diff hist +3‎ Charged systems with density functional theory ‎ →‎Treating divergence in charge neutral calculations
• 13:3513:35, 16 October 2024 diff hist +32‎ Charged systems with density functional theory ‎No edit summary
• 13:1613:16, 16 October 2024 diff hist +25‎ Plugins ‎ →‎Python scripting
• 13:1513:15, 16 October 2024 diff hist +44‎ PLUGINS/LOCAL POTENTIAL ‎ →‎Modifying quantities
• 13:1513:15, 16 October 2024 diff hist +52‎ PLUGINS/LOCAL POTENTIAL ‎ →‎Expected inputs
• 13:0713:07, 16 October 2024 diff hist +127‎ Practical considerations for transition state finding calculations ‎No edit summary
• 12:5212:52, 16 October 2024 diff hist +7‎ KERNEL TRUNCATION/ISURFACE ‎No edit summary
• 12:5212:52, 16 October 2024 diff hist +1‎ KERNEL TRUNCATION/ISURFACE ‎No edit summary