User contributions for Kaltakm
2 May 2025
- 13:0913:09, 2 May 2025 diff hist +85 Practical guide to GW calculations →Related tags and articles current
- 13:0713:07, 2 May 2025 diff hist +95 Practical guide to GW calculations →Optional: RPA Forces
- 13:0013:00, 2 May 2025 diff hist +1,192 N LFOCKSTD Created page with "{{DISPLAYTITLE:LFOCKSTD}} {{TAGDEF|LFOCKSTD|[logical]|.FALSE.}} Description: {{TAG|LFOCKSTD}} uses exact one-centre density terms for the exact exchange part of the total energy and RPA forces. ---- {{NB|mind|Avaliable as of 6.5.2.}} This feature is availabe for low-scaling ACFDT/random-phase-approximation (RPA) and GW calculations, i.e. {{TAG|ALGO}}=ACFDTR, RPAR, EVGW0R, GWR. If selected, exact one-center terms in the electronic densit..." current
- 12:4012:40, 2 May 2025 diff hist −25 ACFDT/RPA calculations →Output of low-scaling ACFDT/RPA current
- 12:3912:39, 2 May 2025 diff hist +183 ACFDT/RPA calculations →Output of low-scaling ACFDT/RPA
- 12:3712:37, 2 May 2025 diff hist +420 ACFDT/RPA calculations →Output of low-scaling ACFDT/RPA
- 12:2212:22, 2 May 2025 diff hist −3 ACFDT/RPA calculations →General recipe to calculate ACFDT-RPA total energies
- 12:2012:20, 2 May 2025 diff hist +1 ACFDT/RPA calculations →General recipe to calculate ACFDT-RPA total energies
- 12:1412:14, 2 May 2025 diff hist +35 ACFDT/RPA calculations →General recipe to calculate ACFDT-RPA total energies
- 12:0512:05, 2 May 2025 diff hist +94 ACFDT/RPA calculations →Optional: RPA Forces
- 12:0412:04, 2 May 2025 diff hist +690 ACFDT/RPA calculations →Possible tests and known issues
- 11:4411:44, 2 May 2025 diff hist +85 ACFDT/RPA calculations →Related Tags and Sections
28 March 2025
- 09:2409:24, 28 March 2025 diff hist +66 VRijkl No edit summary current
- 09:2409:24, 28 March 2025 diff hist +66 URijkl No edit summary current
- 09:2409:24, 28 March 2025 diff hist +67 VIJKL No edit summary current
- 09:2309:23, 28 March 2025 diff hist +68 UIJKL No edit summary current
- 09:2209:22, 28 March 2025 diff hist +5 VIJKL No edit summary
- 09:2109:21, 28 March 2025 diff hist +2 VIJKL No edit summary
- 09:2009:20, 28 March 2025 diff hist +66 DMFT BASIS →Related tags and articles current
- 09:1909:19, 28 March 2025 diff hist −11 VRijkl No edit summary
- 09:1709:17, 28 March 2025 diff hist 0 VRijkl No edit summary
- 09:1709:17, 28 March 2025 diff hist +159 URijkl No edit summary
- 09:1009:10, 28 March 2025 diff hist +2 UIJKL No edit summary
- 09:1009:10, 28 March 2025 diff hist +153 CRPA of SrVO3 →cRPA Calculation current
- 09:0809:08, 28 March 2025 diff hist −2 CRPA of SrVO3 →cRPA Calculation
- 09:0809:08, 28 March 2025 diff hist +4 CRPA of SrVO3 →cRPA Calculation
- 09:0709:07, 28 March 2025 diff hist +2 CRPA of SrVO3 →cRPA Calculation
- 08:3508:35, 28 March 2025 diff hist +13 CRPA of SrVO3 →Optional: Analytic continuation
- 08:2608:26, 28 March 2025 diff hist −30 CRPA of SrVO3 →Optional: Analytic continuation
- 08:0508:05, 28 March 2025 diff hist +269 URijkl No edit summary
- 08:0008:00, 28 March 2025 diff hist +428 VRijkl No edit summary
- 07:5207:52, 28 March 2025 diff hist +202 URijkl No edit summary
- 07:4807:48, 28 March 2025 diff hist +2 URijkl No edit summary
- 07:4707:47, 28 March 2025 diff hist +4 Constrained–random-phase–approximation formalism →Off-centre interactions current
27 March 2025
- 17:0817:08, 27 March 2025 diff hist +5 Constrained–random-phase–approximation formalism →Band method
- 17:0817:08, 27 March 2025 diff hist −6 Constrained–random-phase–approximation formalism →Weighted method
- 17:0317:03, 27 March 2025 diff hist −7 UIJKL No edit summary
- 17:0317:03, 27 March 2025 diff hist +602 N UIJKL Created page with "This file stores the effectively screened Coulomb integrals ::<math> U_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}' w_{i}^{*\sigma}({\bf r}) w_{j}^{\sigma}({\bf r}) U({\bf r},{\bf r}',\omega) w_{k}^{*\sigma'}({\bf r}) w_{l}^{\sigma'}({\bf r}) </math> The format is as follows: # U_ijkl = [ij,R|kl,0] # I J K L RE(V_IJKL) IM(V_IJKL) 1 1 1 1 4.3457689208 0.0000000000 2 1 1 1 0.00000213..."
- 16:4216:42, 27 March 2025 diff hist +583 N VIJKL Created page with "This file stores the Coulomb integrals ::<math> V_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}' \frac{ w_{i}^{*\sigma}({\bf r}) w_{j}^{\sigma}({\bf r}) w_{k}^{*\sigma'}({\bf r}) w_{l}^{\sigma'}({\bf r})}{|{\bf r}-{\bf r}'|} </math> The format is as follows: # V_ijkl = [ij,R|kl,0] # I J K L RE(V_IJKL) IM(V_IJKL) 1 1 1 1 14.4576272582 0.0000000000 2 1 1 1 0.0000010313 0.00000310..."
- 16:4016:40, 27 March 2025 diff hist +76 Constrained–random-phase–approximation formalism →Parameter definitions
- 16:3716:37, 27 March 2025 diff hist +10 URijkl No edit summary
- 16:3516:35, 27 March 2025 diff hist −317 CRPA of SrVO3 →cRPA calculation on Matsubara axis
- 16:3416:34, 27 March 2025 diff hist −6 CRPA of SrVO3 →Optional: Analytic continuation
- 16:1316:13, 27 March 2025 diff hist +33 Constrained–random-phase–approximation formalism →Related tags and articles
- 16:0916:09, 27 March 2025 diff hist −24 URijkl No edit summary
- 16:0816:08, 27 March 2025 diff hist −24 VRijkl No edit summary
- 16:0816:08, 27 March 2025 diff hist +85 Constrained–random-phase–approximation formalism →Related tags and articles
- 16:0616:06, 27 March 2025 diff hist +72 VRijkl No edit summary
- 16:0616:06, 27 March 2025 diff hist +72 URijkl No edit summary
- 16:0516:05, 27 March 2025 diff hist +52 VRijkl No edit summary