User contributions for Kaltakm
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..." current
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 current
- 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}}{{..."
- 14:4414:44, 23 November 2022 diff hist +1,731 N IALL IN ONE Created page with "{{TAGDEF|IALL_IN_ONE|[integer]}} {{DEF|IALL_IN_ONE|1|for {{TAG|LALL_IN_ONE}}{{=}}.TRUE. or {{TAG|NBANDS}}<0|-1|for {{TAG|LALL_IN_ONE}}{{=}}.FALSE.}} Description: {{TAG|IALL_I..."
- 14:4414:44, 23 November 2022 diff hist +1,719 N LALL IN ONE Created page with "{{TAGDEF|LALL_IN_ONE|.FALSE. {{!}} .TRUE.}} {{DEF|LALL_IN_ONE |.FALSE.|for {{TAG|NBANDS}}>0 |.TRUE.|for {{TAG|NBANDS}}<0 }} Description: {{TAG|LALL_IN_ONE}}=.TRUE. enables th..."
- 14:4214:42, 23 November 2022 diff hist +1,580 N NBANDSEXACT Created page with "{{TAGDEF|NBANDSEXACT|[integer]}} {{DEF|NBANDSEXACT|-1|for {{TAG|LALL_IN_ONE}}{{=}}.FALSE.|maximum number of plane waves|for {{TAG|LALL_IN_ONE}}{{=}}.TRUE.}} Description: {{TA..."
7 November 2022
- 09:1609:16, 7 November 2022 diff hist −31 Practical guide to GW calculations →Low scaling, partially self-consistent GW calculations: EVGW0R
- 09:1109:11, 7 November 2022 diff hist +10 Practical guide to GW calculations →Low scaling, partially self-consistent GW calculations: EVGW0R
- 09:1009:10, 7 November 2022 diff hist −3 Practical guide to GW calculations →Low scaling, partially self-consistent GW calculations: EVGW0R
- 09:1009:10, 7 November 2022 diff hist −68 Practical guide to GW calculations →Low scaling, partially self-consistent GW calculations: EVGW0R
- 09:0909:09, 7 November 2022 diff hist +1 Practical guide to GW calculations →Low scaling, partially self-consistent GW calculations: EVGW0R
- 09:0509:05, 7 November 2022 diff hist +837 Practical guide to GW calculations No edit summary
- 08:4908:49, 7 November 2022 diff hist −1 Practical guide to GW calculations →Low scaling, single shot GW calculations: G0W0R
- 08:4808:48, 7 November 2022 diff hist +241 Practical guide to GW calculations →Related tags and articles
- 08:4508:45, 7 November 2022 diff hist +364 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
18 October 2022
- 13:0313:03, 18 October 2022 diff hist +2 Practical guide to GW calculations →Partially self-consistent GW calculations: GW0R
- 12:4912:49, 18 October 2022 diff hist −7 ALGO No edit summary
- 12:4812:48, 18 October 2022 diff hist −508 GW approximation of Hedin's equations No edit summary
27 September 2022
- 12:5812:58, 27 September 2022 diff hist +247 GW and dielectric matrix →Direct calculation of the dielectric function
- 12:5712:57, 27 September 2022 diff hist +175 GW and dielectric matrix →Spectral Method
- 12:5112:51, 27 September 2022 diff hist +960 GW and dielectric matrix No edit summary
- 11:4211:42, 27 September 2022 diff hist +30 GW and dielectric matrix No edit summary
26 September 2022
- 16:2316:23, 26 September 2022 diff hist +6,377 GW and dielectric matrix No edit summary
- 13:4113:41, 26 September 2022 diff hist −1,432 GW and dielectric matrix No edit summary
- 13:4113:41, 26 September 2022 diff hist +1,155 GW and dielectric matrix No edit summary Tag: Visual edit: Switched
- 12:3312:33, 26 September 2022 diff hist −1,143 Low-scaling GW: The space-time formalism No edit summary
- 12:1612:16, 26 September 2022 diff hist −159 Low-scaling GW: The space-time formalism No edit summary
- 10:3610:36, 26 September 2022 diff hist −1 CSHIFT No edit summary
- 10:3010:30, 26 September 2022 diff hist +81 CSHIFT No edit summary
- 08:3008:30, 26 September 2022 diff hist +173 Constrained–random-phase–approximation formalism →Caveats
12 September 2022
- 11:5611:56, 12 September 2022 diff hist +66 ICHARG No edit summary
- 11:5511:55, 12 September 2022 diff hist +165 CHGCAR No edit summary
- 11:5411:54, 12 September 2022 diff hist +132 ICHARG No edit summary
29 August 2022
- 14:0214:02, 29 August 2022 diff hist +691 Known issues No edit summary
16 August 2022
- 08:5908:59, 16 August 2022 diff hist −22 DFT+U: formalism No edit summary
- 08:5808:58, 16 August 2022 diff hist +4 LWEIGHTED No edit summary
- 08:5808:58, 16 August 2022 diff hist +4 LDISENTANGLED No edit summary Tag: Visual edit: Switched
- 08:5808:58, 16 August 2022 diff hist +4 INCAR →Related tags and articles
11 July 2022
- 10:1610:16, 11 July 2022 diff hist +53 LRPAFORCE No edit summary
16 May 2022
- 14:0014:00, 16 May 2022 diff hist +1 NTARGET STATES →Related tags and articles
- 14:0014:00, 16 May 2022 diff hist +19 NTARGET STATES No edit summary
22 April 2022
- 16:0316:03, 22 April 2022 diff hist +53 PRECFOCK No edit summary
12 April 2022
- 15:1515:15, 12 April 2022 diff hist −153 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 15:1515:15, 12 April 2022 diff hist −978 Constrained–random-phase–approximation formalism →Low-scaling implementation
- 15:1415:14, 12 April 2022 diff hist +9 Constrained–random-phase–approximation formalism →Low-scaling implementation
11 April 2022
- 08:4808:48, 11 April 2022 diff hist +74 Constrained–random-phase–approximation formalism →Caveats
- 08:2108:21, 11 April 2022 diff hist 0 Constrained–random-phase–approximation formalism No edit summary
8 April 2022
- 16:4916:49, 8 April 2022 diff hist −1 Template:Cite No edit summary
- 16:4916:49, 8 April 2022 diff hist −7 Constrained–random-phase–approximation formalism →Weighted method
- 16:4516:45, 8 April 2022 diff hist −2 Template:Cite No edit summary
- 16:4416:44, 8 April 2022 diff hist +26 Constrained–random-phase–approximation formalism →Projector method
- 16:4316:43, 8 April 2022 diff hist +155 Template:Cite No edit summary
- 16:3816:38, 8 April 2022 diff hist +62 Constrained–random-phase–approximation formalism →Effective Coulomb kernel in constrained random-phase approximation
- 16:3516:35, 8 April 2022 diff hist +4 Constrained–random-phase–approximation formalism →Effective Coulomb kernel in constrained random-phase approximation
- 16:3416:34, 8 April 2022 diff hist +6 Constrained–random-phase–approximation formalism →Related tags and articles
- 16:3316:33, 8 April 2022 diff hist −2 LWEIGHTED No edit summary
- 16:3316:33, 8 April 2022 diff hist −3 LDISENTANGLED No edit summary
- 16:3216:32, 8 April 2022 diff hist +1,173 N LDISENTANGLED Created page with "{{TAGDEF|LDISTENTANGLE|[logical]|.FALSE.}} Description: {{TAG|LDISTENTANGLE}} selects the Constrained–random-phase–approximation_formalism#Disentangled_method|disentang..."
- 16:3116:31, 8 April 2022 diff hist +200 Constrained–random-phase–approximation formalism →Caveats
- 16:2916:29, 8 April 2022 diff hist +23 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 16:2716:27, 8 April 2022 diff hist +780 Constrained–random-phase–approximation formalism →Caveats
- 16:2316:23, 8 April 2022 diff hist +188 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations