User contributions for Svijay

16 October 2024

• 09:5709:57, 16 October 2024 diff hist +9‎ Charged systems with density functional theory ‎No edit summary
• 09:5609:56, 16 October 2024 diff hist −15‎ Charged systems with density functional theory ‎No edit summary
• 09:5609:56, 16 October 2024 diff hist +388‎ Charged systems with density functional theory ‎No edit summary
• 09:5009:50, 16 October 2024 diff hist +44‎ Charged systems with density functional theory ‎No edit summary
• 09:4909:49, 16 October 2024 diff hist +89‎ Charged systems with density functional theory ‎No edit summary
• 09:4509:45, 16 October 2024 diff hist −63‎ Charged systems with density functional theory ‎No edit summary
• 09:1709:17, 16 October 2024 diff hist −31‎ Charged systems with density functional theory ‎No edit summary
• 09:1609:16, 16 October 2024 diff hist +31‎ Charged systems with density functional theory ‎No edit summary
• 09:1609:16, 16 October 2024 diff hist +409‎ Charged systems with density functional theory ‎No edit summary
• 09:1209:12, 16 October 2024 diff hist +233‎ Charged systems with density functional theory ‎No edit summary
• 09:0709:07, 16 October 2024 diff hist +112‎ Charged systems with density functional theory ‎No edit summary
• 09:0709:07, 16 October 2024 diff hist −1‎ Charged systems with density functional theory ‎No edit summary
• 09:0609:06, 16 October 2024 diff hist +2‎ Charged systems with density functional theory ‎No edit summary
• 09:0609:06, 16 October 2024 diff hist +110‎ Charged systems with density functional theory ‎ →‎Treating divergence in charge neutral calculations
• 09:0209:02, 16 October 2024 diff hist −7‎ Charged systems with density functional theory ‎No edit summary
• 09:0209:02, 16 October 2024 diff hist +122‎ Charged systems with density functional theory ‎No edit summary
• 08:5808:58, 16 October 2024 diff hist +85‎ Charged systems with density functional theory ‎No edit summary
• 08:5708:57, 16 October 2024 diff hist −156‎ Charged systems with density functional theory ‎No edit summary
• 08:5508:55, 16 October 2024 diff hist −10‎ Charged systems with density functional theory ‎No edit summary
• 08:5308:53, 16 October 2024 diff hist 0‎ Charged systems with density functional theory ‎No edit summary
• 08:5308:53, 16 October 2024 diff hist +28‎ Charged systems with density functional theory ‎No edit summary
• 08:5208:52, 16 October 2024 diff hist +452‎ Charged systems with density functional theory ‎No edit summary
• 08:4808:48, 16 October 2024 diff hist +8‎ Charged systems with density functional theory ‎No edit summary
• 08:4608:46, 16 October 2024 diff hist +278‎ Charged systems with density functional theory ‎No edit summary
• 08:4408:44, 16 October 2024 diff hist +4‎ Charged systems with density functional theory ‎No edit summary
• 08:4308:43, 16 October 2024 diff hist +483‎ Charged systems with density functional theory ‎No edit summary
• 08:3608:36, 16 October 2024 diff hist +204‎ Charged systems with density functional theory ‎No edit summary
• 08:3408:34, 16 October 2024 diff hist −10‎ Charged systems with density functional theory ‎No edit summary
• 08:3308:33, 16 October 2024 diff hist +95‎ Charged systems with density functional theory ‎No edit summary
• 08:2708:27, 16 October 2024 diff hist +381‎ Charged systems with density functional theory ‎No edit summary
• 08:1908:19, 16 October 2024 diff hist +218‎ Charged systems with density functional theory ‎No edit summary
• 08:1708:17, 16 October 2024 diff hist +1‎ Charged systems with density functional theory ‎ →‎Treating divergence in charge neutral calculations
• 08:1708:17, 16 October 2024 diff hist −12‎ Charged systems with density functional theory ‎No edit summary
• 08:1708:17, 16 October 2024 diff hist −5‎ Charged systems with density functional theory ‎No edit summary
• 08:1608:16, 16 October 2024 diff hist +232‎ Charged systems with density functional theory ‎No edit summary
• 08:1508:15, 16 October 2024 diff hist +1‎ Charged systems with density functional theory ‎No edit summary
• 08:1408:14, 16 October 2024 diff hist +389‎ Charged systems with density functional theory ‎No edit summary
• 08:0608:06, 16 October 2024 diff hist +146‎ Charged systems with density functional theory ‎No edit summary
• 08:0408:04, 16 October 2024 diff hist −3‎ Charged systems with density functional theory ‎No edit summary
• 08:0408:04, 16 October 2024 diff hist 0‎ Charged systems with density functional theory ‎No edit summary
• 08:0408:04, 16 October 2024 diff hist +139‎ Charged systems with density functional theory ‎ →‎Cancelled divergences in charged systems
• 08:0308:03, 16 October 2024 diff hist +270‎ Charged systems with density functional theory ‎No edit summary
• 08:0008:00, 16 October 2024 diff hist +372‎ Charged systems with density functional theory ‎No edit summary
• 07:5507:55, 16 October 2024 diff hist +498‎ N Charged systems with density functional theory ‎ Created page with "On this page, we briefly describe technical issues caused by computing the energies of charged systems with periodic density functional theory calculations. We then discuss why the energies of charged systems diverge for systems with lower dimensionality, such as with surfaces (2D), nanowires (1D) and molecules (0D) while potentially providing useful information for bulk (3D) systems. Finally, we present methods implemented in VASP which allow for calculations of charged..."

15 October 2024

• 20:1920:19, 15 October 2024 diff hist 0‎ KERNEL TRUNCATION/ISURFACE ‎No edit summary
• 20:1920:19, 15 October 2024 diff hist +557‎ KERNEL TRUNCATION/ISURFACE ‎No edit summary
• 20:1620:16, 15 October 2024 diff hist +229‎ N KERNEL TRUNCATION/ISURFACE ‎ Created page with "{{TAGDEF|KERNEL_TRUNCATION/ISURFACE_NORMAL| 0 {{!}} 1 {{!}} 2 | 0}} Description: {{TAG|KERNEL_TRUNCATION/ISURFACE_NORMAL}} specifies the non-periodic dimension when performing calculations with 2D kernel truncation methods. ----"
• 20:1120:11, 15 October 2024 diff hist +430‎ KERNEL TRUNCATION/LCOARSEN ‎No edit summary
• 10:0510:05, 15 October 2024 diff hist +344‎ N KERNEL TRUNCATION/LCOARSEN ‎ Created page with "{{TAGDEF|KERNEL_TRUNCATION/LCOARSEN_BEFORE_PAD| .True. {{!}} .False.|.True.}} Description: {{TAG|KERNEL_TRUNCATION/LCOARSEN_BEFORE_PAD}} speeds up computation of the local potential in the kernel truncation method by coarsening the charge density before padding it. ---- Kernel truncation methods require a fixed amount of vacuum in the cell."
• 09:5909:59, 15 October 2024 diff hist +406‎ KERNEL TRUNCATION/IDIMENSIONALITY ‎No edit summary