User contributions for Kaltakm
10 June 2024
- 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
3 June 2024
- 12:4112:41, 3 June 2024 diff hist +1 Bandstructure of Si in GW (VASP2WANNIER90) →Step 3: GW calculation including LWANNIER90 TAG current
23 May 2024
- 14:0614:06, 23 May 2024 diff hist −2 IBRION →{{TAG|IBRION}}=3: ionic relaxation (damped molecular dynamics).
27 February 2024
- 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)
21 February 2024
- 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..."
22 January 2024
- 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
19 January 2024
- 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
20 October 2023
- 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
29 September 2023
- 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..."
21 September 2023
- 08:0908:09, 21 September 2023 diff hist −2 ACFDT/RPA calculations No edit summary
- 08:0808:08, 21 September 2023 diff hist +1,140 ACFDT/RPA calculations No edit summary
- 07:2407:24, 21 September 2023 diff hist +81 N File:SinglesDiagrams.png Feynman Diagrams of Singles contribution to the correlation energy. current
20 September 2023
- 11:5011:50, 20 September 2023 diff hist +53 Template:Cite No edit summary
- 11:3511:35, 20 September 2023 diff hist +138 Template:Cite No edit summary
- 11:1611:16, 20 September 2023 diff hist +167 Template:Cite No edit summary
- 08:4208:42, 20 September 2023 diff hist +777 CRPA of SrVO3 →CRPA Calculation
19 September 2023
- 07:0807:08, 19 September 2023 diff hist −40 Calculate U for LSDA+U →The DFT groudstate current
- 07:0607:06, 19 September 2023 diff hist +319 Calculate U for LSDA+U →The DFT groudstate
- 06:5706:57, 19 September 2023 diff hist −1 Calculate U for LSDA+U →Non-selfconsistent response
- 06:5406:54, 19 September 2023 diff hist −13 Calculate U for LSDA+U →The DFT groudstate
30 May 2023
- 09:5609:56, 30 May 2023 diff hist +8 LFINITE TEMPERATURE No edit summary
- 09:5509:55, 30 May 2023 diff hist −7 LFINITE TEMPERATURE No edit summary
25 April 2023
- 13:3213:32, 25 April 2023 diff hist +12 Practical guide to GW calculations →Single shot quasiparticle energies: G0W0
24 April 2023
- 14:1814:18, 24 April 2023 diff hist +306 ENCUTGWSOFT No edit summary
- 14:0914:09, 24 April 2023 diff hist +2 ENCUTGWSOFT →Related tags and articles
- 14:0814:08, 24 April 2023 diff hist +80 ENCUTGWSOFT →Related tags and articles
- 14:0714:07, 24 April 2023 diff hist +156 ENCUTGW No edit summary current
12 April 2023
- 07:3807:38, 12 April 2023 diff hist −29 NATURALO No edit summary
6 March 2023
- 13:4813:48, 6 March 2023 diff hist +40 ENCUTGW No edit summary
30 January 2023
- 12:5512:55, 30 January 2023 diff hist +173 NATURALO No edit summary
- 12:4912:49, 30 January 2023 diff hist +98 NATURALO No edit summary
23 November 2022
- 14:4714:47, 23 November 2022 diff hist +1,331 N NOMEGA DUMP Created page with "{{TAGDEF|NOMEGA_DUMP|[integer]}} {{DEF|NOMEGA_DUMP|-1|}} {{NB| warning | Available as of version 6.3.2.}} Description: {{TAG|NOMEGA_DUMP}} selects the imaginary frequency poin..."
- 14:4714:47, 23 November 2022 diff hist +20 NOMEGA No edit summary
- 14:4514:45, 23 November 2022 diff hist +2,006 N NBANDS WAVE Created page with "{{TAGDEF|NBANDS_WAVE|[integer]}} {{DEF|NBANDS_WAVE |{{TAG|NBANDSGW}} |for {{TAG|LALL_IN_ONE}}{{=}}.TRUE. and {{TAG|NBANDS}}<1 |{{TAG|NBANDS}} |for {{TAG|LALL_IN_ONE}}{{..."