User contributions for Kaltakm

16:0516:05, 27 March 2025 diff hist +51‎ WFULLxxxx.tmp ‎No edit summary
16:0516:05, 27 March 2025 diff hist +52‎ URijkl ‎No edit summary
16:0416:04, 27 March 2025 diff hist +33‎ WANPROJ ‎ →‎Related tags and articles current
16:0216:02, 27 March 2025 diff hist +21‎ WANPROJ ‎ →‎Related tags and articles
15:4215:42, 27 March 2025 diff hist +5‎ LDOWNSAMPLE ‎No edit summary current
15:4215:42, 27 March 2025 diff hist −8‎ LDOWNSAMPLE ‎No edit summary
15:4115:41, 27 March 2025 diff hist +327‎ LDOWNSAMPLE ‎No edit summary
15:3715:37, 27 March 2025 diff hist −74‎ LDOWNSAMPLE ‎No edit summary
15:3415:34, 27 March 2025 diff hist +18‎ LDOWNSAMPLE ‎No edit summary
15:3415:34, 27 March 2025 diff hist 0‎ LDOWNSAMPLE ‎No edit summary
15:3315:33, 27 March 2025 diff hist +839‎ N LDOWNSAMPLE ‎ Created page with "{{DISPLAYTITLE:LDOWNSAMPLE}} {{TAGDEF|LDOWNSAMPLE|[logical]|.FALSE.}} Description: {{TAG|LDOWNSAMPLE}} selects a sub-grid of k-points defined in {{FILE|KPOINTS}} from {{FILE|WAVECAR}}. ---- If {{TAG|LDOWNSAPMLE}} is present, VASP selects a sub-grid of k-points defined in {{FILE|KPOINTS}} and found in {{FILE|WAVECAR}}. This option is automatically selected for cRPA calculations, but can be used for other computational..."
15:2615:26, 27 March 2025 diff hist +51‎ LWRITE WANPROJ ‎No edit summary current
15:2515:25, 27 March 2025 diff hist +51‎ WANPROJ ‎No edit summary
15:2515:25, 27 March 2025 diff hist +51‎ LWANNIER90 RUN ‎No edit summary current
15:2415:24, 27 March 2025 diff hist +51‎ LWANNIER90 ‎No edit summary current
15:2415:24, 27 March 2025 diff hist +51‎ NUM WANN ‎No edit summary current
15:2315:23, 27 March 2025 diff hist −10‎ DMFT BASIS ‎No edit summary
15:2315:23, 27 March 2025 diff hist +4‎ DMFT BASIS ‎No edit summary
15:2115:21, 27 March 2025 diff hist +35‎ VCUTOFF ‎ →‎Related tags and articles current
15:1715:17, 27 March 2025 diff hist 0‎ File:CRPA of SrVO3.zip ‎ Kaltakm uploaded a new version of File:CRPA of SrVO3.zip current
15:0915:09, 27 March 2025 diff hist +1,572‎ CRPA of SrVO3 ‎No edit summary
15:0015:00, 27 March 2025 diff hist +288‎ N File:SrVO3 U omega acont.png ‎ Effectively screened Coulomb interaction (one-site) of SrVO3 evaluated in minimal Wannier basis using 3 t2g states centered on V. The real-frequency dependence has been obtained from 24 imaginary (compressed) Matsubara points evaluated using the euclidean GW implementation. current
13:4213:42, 27 March 2025 diff hist +51‎ NOMEGA DUMP ‎No edit summary current
13:4113:41, 27 March 2025 diff hist +130‎ CRPA of SrVO3 ‎ →‎cRPA calculation on Matsubara axis
13:3913:39, 27 March 2025 diff hist +4‎ CRPA of SrVO3 ‎ →‎Off-centre Coulomb integrals
13:3813:38, 27 March 2025 diff hist +1,636‎ CRPA of SrVO3 ‎No edit summary
13:3013:30, 27 March 2025 diff hist −54‎ CRPA of SrVO3 ‎ →‎cRPA Calculation
13:1513:15, 27 March 2025 diff hist +190‎ CRPA of SrVO3 ‎ →‎cRPA Calculation
13:1213:12, 27 March 2025 diff hist +212‎ CRPA of SrVO3 ‎ →‎Obtain DFT virtual orbitals and long-wave limit
13:1113:11, 27 March 2025 diff hist +72‎ CRPA of SrVO3 ‎ →‎DFT groundstate calculation
12:5612:56, 27 March 2025 diff hist 0‎ GW and ACFDT - Tutorial ‎No edit summary current
12:5512:55, 27 March 2025 diff hist 0‎ GW and ACFDT - Tutorial ‎No edit summary
12:5312:53, 27 March 2025 diff hist 0‎ CRPA of SrVO3 ‎ →‎Task
12:5012:50, 27 March 2025 diff hist −42‎ Constrained–random-phase–approximation formalism ‎No edit summary
12:2212:22, 27 March 2025 diff hist +57‎ CRPA of SrVO3 ‎No edit summary
12:2012:20, 27 March 2025 diff hist −22‎ CRPA of SrVO3 ‎ →‎cRPA calculation with spacetime Algorithm
12:1912:19, 27 March 2025 diff hist +91‎ CRPA of SrVO3 ‎No edit summary
12:1312:13, 27 March 2025 diff hist +1‎ Constrained–random-phase–approximation formalism ‎ →‎Off-centre interactions
12:1212:12, 27 March 2025 diff hist −23‎ Constrained–random-phase–approximation formalism ‎ →‎Off-centre interactions
12:1112:11, 27 March 2025 diff hist −1‎ Constrained–random-phase–approximation formalism ‎ →‎Off-centre interactions
12:1112:11, 27 March 2025 diff hist +228‎ Constrained–random-phase–approximation formalism ‎ →‎Off-centre interactions
12:1012:10, 27 March 2025 diff hist 0‎ Constrained–random-phase–approximation formalism ‎ →‎Off-centre Interactions
12:0812:08, 27 March 2025 diff hist 0‎ Category:Many-body perturbation theory ‎ →‎Constrained random-phase approximation current
12:0812:08, 27 March 2025 diff hist 0‎ The VASP Manual ‎ →‎Featured topics

16:0516:05, 26 March 2025 diff hist 0‎ URijkl ‎No edit summary
16:0416:04, 26 March 2025 diff hist +864‎ N URijkl ‎ Created page with "This file stores the effectively screened off-centre 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}+{\bf R}) w_{l}^{\sigma'}({\bf r}+{\bf R}) </math> The format is as follows: # U_ijkl = [ij,R|kl,0] # I J K L RE(V_IJKL) IM(V_IJKL) # R: 1 0.000000 0.000000 0.000000 1 1 1 1 1..."
16:0216:02, 26 March 2025 diff hist +40‎ VRijkl ‎No edit summary
16:0216:02, 26 March 2025 diff hist +714‎ N VRijkl ‎ Created page with "This file stores the off-centre 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}+{\bf R}) w_{l}^{\sigma'}({\bf r}+{\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) # R: 1 0.000000 0.000000 0.000000 1 1 1 1 14.4576272582..."
15:5515:55, 26 March 2025 diff hist +8‎ Constrained–random-phase–approximation formalism ‎ →‎Off-centre Interactions
15:5215:52, 26 March 2025 diff hist +20‎ Constrained–random-phase–approximation formalism ‎ →‎Related tags and articles

27 March 2025

26 March 2025