User contributions for Kaltakm

14:4114:41, 10 June 2024 diff hist +1,233‎ N 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 ESF CONV ‎No edit summary
14:4014:40, 10 June 2024 diff hist +3‎ ESF SPLINES ‎No edit summary
14:3214:32, 10 June 2024 diff hist +4‎ ESF SPLINES ‎No edit summary
14:3114:31, 10 June 2024 diff hist +5‎ ESF CONV ‎No edit summary
14:2514:25, 10 June 2024 diff hist +1,234‎ N 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 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 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

12:4112:41, 3 June 2024 diff hist +1‎ Bandstructure of Si in GW (VASP2WANNIER90) ‎ →‎Step 3: GW calculation including LWANNIER90 TAG current

14:0614:06, 23 May 2024 diff hist −2‎ IBRION ‎ →‎{{TAG|IBRION}}=3: ionic relaxation (damped molecular dynamics).

14:0614:06, 27 February 2024 diff hist −3‎ Makefile.include ‎ →‎DFT-D4 (optional)
14:0014:00, 27 February 2024 diff hist +616‎ Makefile.include ‎ →‎DFT-D4 (optional)

08:0908:09, 21 February 2024 diff hist +6‎ IALL IN ONE ‎No edit summary current
08:0608:06, 21 February 2024 diff hist +1,021‎ N DMFT BASIS ‎ Created page with "{{DISPLAYTITLE:DMFT_BASIS}} {{TAGDEF|DMFT_BASIS|MLWF {{!}} BLOCH {{!}} LOCPROJ}} Description: Specifies which basis is used for Coulomb matrix elements in CRPA calculations. ---- This tag is effective for {{TAG|ALGO}}=CRPA[R] and {{TAG|ALGO}}=2E4W and is ignored otherwise. The tag affects how {{TAG|NTARGET_STATES}} is interpreted. For instance DMFT_BASIS = BLOCH NTARGET_STATES = 1 4 5 8 evaluates the Coulomb matrix elements in the Bloch basis for band 1, 4, 5 and..." current

13:3813:38, 22 January 2024 diff hist +230‎ LFINITE TEMPERATURE ‎No edit summary
13:2913:29, 22 January 2024 diff hist −1‎ Matsubara formalism ‎No edit summary

15:4815:48, 19 January 2024 diff hist +73‎ LSELFENERGY ‎No edit summary
15:3915:39, 19 January 2024 diff hist −4,025‎ LSELFENERGY ‎No edit summary
15:3915:39, 19 January 2024 diff hist +4,656‎ LSELFENERGY ‎No edit summary
15:3715:37, 19 January 2024 diff hist +5,135‎ LSELFENERGY ‎No edit summary
15:2515:25, 19 January 2024 diff hist +340‎ LSELFENERGY ‎No edit summary
15:2215:22, 19 January 2024 diff hist +63‎ Practical guide to GW calculations ‎ →‎Related tags and articles
13:3913:39, 19 January 2024 diff hist +24‎ LFINITE TEMPERATURE ‎No edit summary

10:3510:35, 20 October 2023 diff hist −2‎ LSINGLES ‎No edit summary
10:3410:34, 20 October 2023 diff hist +63‎ LSINGLES ‎No edit summary

09:4409:44, 29 September 2023 diff hist +4,080‎ N LSINGLES ‎ Created page with "{{TAGDEF|LSINGLES|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: calculate singles contribution to correlation energy using GW algorithms.{{cite|klimes:jcp:143}} ---- This tag c..."