User contributions for Kaltakm
18 October 2024
- 14:2114:21, 18 October 2024 diff hist +2 Practical guide to GW calculations →Output description current
- 13:3413:34, 18 October 2024 diff hist −1 Practical guide to GW calculations →Output description
- 13:3313:33, 18 October 2024 diff hist +1,294 Practical guide to GW calculations →Low scaling, single shot GW calculations: G0W0R
- 13:2313:23, 18 October 2024 diff hist +175 Template:Cite No edit summary
- 12:0112:01, 18 October 2024 diff hist +2 Practical guide to GW calculations →Low scaling, single shot GW calculations: G0W0R
17 October 2024
- 15:3615:36, 17 October 2024 diff hist +1 Construction:KERNEL TRUNCATION/LTRUNCATE No edit summary current
13 June 2024
- 08:5608:56, 13 June 2024 diff hist +69 N File:CRPA of SrVO3.zip Update CRPA tutorial of SrVO3 for vasp-6.4.3 and newer. current
- 08:5008:50, 13 June 2024 diff hist −9 CRPA of SrVO3 →CRPA Calculation current
- 08:5008:50, 13 June 2024 diff hist +4 CRPA of SrVO3 →CRPA Calculation
- 08:4908:49, 13 June 2024 diff hist −348 CRPA of SrVO3 No edit summary
12 June 2024
- 10:5010:50, 12 June 2024 diff hist 0 File:SrVO3 GW band.zip Kaltakm uploaded a new version of File:SrVO3 GW band.zip current
- 10:4410:44, 12 June 2024 diff hist 0 Bandstructure of SrVO3 in GW →Download current
- 10:4310:43, 12 June 2024 diff hist +112 N File:SrVO3 GW band.zip Tutorial files for GW bandstructure of SrVO3 in CRPA tutorial step. Upate to vasp-6.4.3 and newer
- 10:1010:10, 12 June 2024 diff hist −6 Bandstructure of SrVO3 in GW No edit summary
- 10:0910:09, 12 June 2024 diff hist −4 Bandstructure of SrVO3 in GW →Obtain DFT virtual orbitals and long-wave limit
- 09:2809:28, 12 June 2024 diff hist +7 Bandstructure of SrVO3 in GW →Density of States
- 09:2709:27, 12 June 2024 diff hist +1 Bandstructure of SrVO3 in GW →Bandstructure with wannier90
- 09:2609:26, 12 June 2024 diff hist +221 Bandstructure of SrVO3 in GW →Bandstructure with wannier90
- 06:5606:56, 12 June 2024 diff hist +2 ACFDT/RPA calculations →K-point convergence: Spline interpolation
- 06:5506:55, 12 June 2024 diff hist +59 ACFDT/RPA calculations →K-point convergence: Spline interpolation
- 06:5406:54, 12 June 2024 diff hist 0 Construction:ESF SPLINES No edit summary
- 06:5306:53, 12 June 2024 diff hist +39 Construction:ESF SPLINES No edit summary
- 06:5106:51, 12 June 2024 diff hist −16 ACFDT/RPA calculations →K-point convergence: Spline interpolation
11 June 2024
- 15:2415:24, 11 June 2024 diff hist +122 ACFDT/RPA calculations →Related Tags and Sections
- 15:0815:08, 11 June 2024 diff hist +6 ACFDT/RPA calculations →K-point convergence: Spline interpolation
- 14:5114:51, 11 June 2024 diff hist −2 ACFDT/RPA calculations →K-point convergence: Spline interpolation
- 14:4614:46, 11 June 2024 diff hist −4 ACFDT/RPA calculations →K-point convergence: Spline interpolation
- 14:3414:34, 11 June 2024 diff hist +3,169 ACFDT/RPA calculations →Possible tests and known issues
- 13:2813:28, 11 June 2024 diff hist −68 CRPA of SrVO3 →CRPA Calculation
- 11:1011:10, 11 June 2024 diff hist −2 Bandgap of Si in GW →Step 1: a DFT groundstate calculation current
- 10:5810:58, 11 June 2024 diff hist −75 CRPA of SrVO3 →CRPA calculation with spacetime Algorithm
- 07:5107:51, 11 June 2024 diff hist +12 ACFDT/RPA calculations No edit summary
- 07:5107:51, 11 June 2024 diff hist +6 Construction:ESF SPLINES No edit summary
- 07:5007:50, 11 June 2024 diff hist +8 Construction:ESF SPLINES No edit summary
- 07:5007:50, 11 June 2024 diff hist +81 Construction:ESF SPLINES No edit summary
10 June 2024
- 14:4114:41, 10 June 2024 diff hist +1,233 N Construction:ESF NINTER Created page with "{{TAGDEF|ESF_NINTER|[integer]|15}} Description: {{TAG|ESF_NINTER}} sets the number of interpolation steps for the tricubic spline interpolation in ACFDT/RPA calculations. ---- {{TAG|ESF_NINTER}} sets the number of tricubic interpolation steps in ACFDT/RPA calculations. This tag is used in conjunction with {{TAG|ESF_SPLINES}} and {{TAG|ESF_CONV}}. If {{TAG|ESF_SPLINES}}=T is set the RPA correlation energy is interpolated to finer k-point meshes using a tricubic s..."
- 14:4014:40, 10 June 2024 diff hist +3 Construction:ESF CONV No edit summary
- 14:4014:40, 10 June 2024 diff hist +3 Construction:ESF SPLINES No edit summary
- 14:3214:32, 10 June 2024 diff hist +4 Construction:ESF SPLINES No edit summary
- 14:3114:31, 10 June 2024 diff hist +5 Construction:ESF CONV No edit summary
- 14:2514:25, 10 June 2024 diff hist +1,234 N Construction:ESF CONV Created page with "{{TAGDEF|ESF_CONV|[real]|0.01}} Description: {{TAG|ESF_CONV}} sets the convergence criterion for the tricubic spline interpolation in ACFDT(R) calculations. ---- {{TAG|ESF_CONV}} sets the convergence criterion in the tricubic spline interpolation of the RPA correlation energy. This tag is used in conjunction with {{TAG|ESF_SPLINES}} and {{TAG|ESF_NITER}}. If {{TAG|ESF_SPLINES}}=T is set the RPA correlation energy is interpolated to finer k-point meshes using a tricubic..."
- 14:0814:08, 10 June 2024 diff hist −91 ACFDT/RPA calculations →Related Tags and Sections Tag: Manual revert
- 14:0714:07, 10 June 2024 diff hist +91 ACFDT/RPA calculations →Related Tags and Sections Tag: Reverted
- 14:0314:03, 10 June 2024 diff hist +1,223 Construction:ESF SPLINES No edit summary
- 13:5713:57, 10 June 2024 diff hist +176 Template:Cite No edit summary
- 12:4312:43, 10 June 2024 diff hist −10 ACFDT/RPA calculations No edit summary
- 12:4212:42, 10 June 2024 diff hist +11 ACFDT/RPA calculations No edit summary
- 12:2512:25, 10 June 2024 diff hist +774 N Construction:ESF SPLINES Created page with "{{TAGDEF|ESF_SPLINES|.FALSE. {{!}} .TRUE. |.FALSE.}} Description: {{TAG|ESF_SPLINES}} selects k-point interpolation in ACFDT(R) calculations using tri-cubic splines. ---- Interpolates the electronic structure factor in ACFDT/RPA calculations using tri-cubic splines to accelerate k-point convergence of the RPA correlation energy. This feature follows the same idea as in coupled cluster calculations.{{cit..."
- 12:1912:19, 10 June 2024 diff hist +159 Template:Cite No edit summary