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User contributions for Kaltakm

For Kaltakm talk block log uploads logs

13:3313:33, 16 December 2024 diff hist +9‎ POSCAR ‎ →‎Full format specification current

13:1613:16, 11 December 2024 diff hist +1‎ SPRING ‎No edit summary current

11:5011:50, 10 December 2024 diff hist +37‎ ACFDT/RPA calculations ‎ →‎Caveats: Noise in Energies and RPA Forces current
11:4811:48, 10 December 2024 diff hist −14‎ LRPAFORCE ‎No edit summary current

13:1813:18, 9 December 2024 diff hist +152‎ LATTICE CONSTRAINTS ‎No edit summary current

20:1820:18, 4 December 2024 diff hist −88‎ LATTICE CONSTRAINTS ‎No edit summary

15:1215:12, 29 November 2024 diff hist 0‎ NATURALO ‎No edit summary current
14:5414:54, 29 November 2024 diff hist +105‎ NATURALO ‎No edit summary
14:5114:51, 29 November 2024 diff hist +274‎ NATURALO ‎No edit summary Tag: Visual edit: Switched

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

15:3615:36, 17 October 2024 diff hist +1‎ KERNEL TRUNCATION/LTRUNCATE ‎No edit summary

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

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

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

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..."

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