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
- 16:1816:18, 8 April 2022 diff hist +1,072 N LWEIGHTED Created page with "{{TAGDEF|LWEIGHTED|[logical]|.FALSE.}} Description: {{TAG|LWEIGHTED}} selects the [[Constrained–random-phase–approximation_formalism#Weighted_method|weighted cRPA method]..."
- 16:0516:05, 8 April 2022 diff hist −45 Constrained–random-phase–approximation formalism →Wannier basis and target space
- 16:0516:05, 8 April 2022 diff hist +35 Constrained–random-phase–approximation formalism →Wannier basis and target space
- 15:2915:29, 8 April 2022 diff hist +148 Constrained–random-phase–approximation formalism →Projector method
- 15:2315:23, 8 April 2022 diff hist +70 Constrained–random-phase–approximation formalism →Weighted method
- 15:2015:20, 8 April 2022 diff hist +12 Constrained–random-phase–approximation formalism →Disentanglement method
- 15:1915:19, 8 April 2022 diff hist −15 Constrained–random-phase–approximation formalism →Disentanglement method
- 15:1815:18, 8 April 2022 diff hist +37 Constrained–random-phase–approximation formalism →Disentanglement method
- 15:1415:14, 8 April 2022 diff hist +5 Constrained–random-phase–approximation formalism →Disentanglement method
- 15:1415:14, 8 April 2022 diff hist +7 Constrained–random-phase–approximation formalism →Disentanglement method
- 15:0915:09, 8 April 2022 diff hist +114 Constrained–random-phase–approximation formalism →Effective Coulomb kernel in constrained random-phase approximation
- 15:0815:08, 8 April 2022 diff hist −113 Constrained–random-phase–approximation formalism →Projector method
- 15:0815:08, 8 April 2022 diff hist +4 Constrained–random-phase–approximation formalism →Projector method
- 15:0615:06, 8 April 2022 diff hist +16 Constrained–random-phase–approximation formalism →Effective Coulomb kernel in constrained random-phase approximation
- 15:0515:05, 8 April 2022 diff hist +11 Constrained–random-phase–approximation formalism →Projector method
- 15:0415:04, 8 April 2022 diff hist −618 Constrained–random-phase–approximation formalism No edit summary
- 14:4214:42, 8 April 2022 diff hist +8 Template:Cite No edit summary
- 14:3514:35, 8 April 2022 diff hist +214 Template:Cite No edit summary
- 14:1514:15, 8 April 2022 diff hist +14 Category:Constrained-random-phase approximation →Theoretical Background
- 13:0313:03, 8 April 2022 diff hist +55 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 12:5712:57, 8 April 2022 diff hist −4 Constrained–random-phase–approximation formalism →Wannier basis and target space
- 12:5312:53, 8 April 2022 diff hist +21 Constrained–random-phase–approximation formalism →Wannier basis and target space
- 12:4212:42, 8 April 2022 diff hist +443 Construction:Practical guide to constrained random-phase approximation No edit summary current
- 12:3512:35, 8 April 2022 diff hist +5 Construction:Practical guide to constrained random-phase approximation No edit summary
- 12:3512:35, 8 April 2022 diff hist +133 N Construction:Practical guide to constrained random-phase approximation Created page with "The Constrained_random-phase_approximation is a method to calculate effective interactions of low-dimensional model Hamiltonians."
7 April 2022
- 16:0716:07, 7 April 2022 diff hist +7 Constrained–random-phase–approximation formalism →Comparison
- 16:0716:07, 7 April 2022 diff hist −9 Constrained–random-phase–approximation formalism →Method comparison
- 16:0616:06, 7 April 2022 diff hist +331 Constrained–random-phase–approximation formalism →Effective Coulomb kernel in constrained random-phase approximation
- 16:0216:02, 7 April 2022 diff hist 0 File:Crpa method comparison.png Kaltakm uploaded a new version of File:Crpa method comparison.png current
- 15:5415:54, 7 April 2022 diff hist +36 N File:Crpa method comparison.png crpa method comparison
- 15:5215:52, 7 April 2022 diff hist +1,336 Constrained–random-phase–approximation formalism →Effective Coulomb kernel in constrained random-phase approximation: projector method
- 14:3514:35, 7 April 2022 diff hist +99 Constrained–random-phase–approximation formalism →Effective Coulomb kernel in constrained random-phase approximation: projector method
- 14:3414:34, 7 April 2022 diff hist +173 Template:Cite No edit summary
- 14:2914:29, 7 April 2022 diff hist +19 Constrained–random-phase–approximation formalism →Effective Coulomb kernel in constrained random-phase approximation
- 14:2714:27, 7 April 2022 diff hist −5 Constrained–random-phase–approximation formalism →=
- 14:2714:27, 7 April 2022 diff hist +1 Constrained–random-phase–approximation formalism →CRPA flavors
- 14:2614:26, 7 April 2022 diff hist 0 Constrained–random-phase–approximation formalism →CRPA methods
- 14:2614:26, 7 April 2022 diff hist +815 Constrained–random-phase–approximation formalism →Effective Coulomb kernel in constrained random-phase approximation
- 13:2813:28, 7 April 2022 diff hist +48 Constrained–random-phase–approximation formalism →Parameter definitions
- 10:4410:44, 7 April 2022 diff hist +200 Constrained–random-phase–approximation formalism →Effective Coulomb kernel in constrained random-phase approximation
- 10:3710:37, 7 April 2022 diff hist +60 Constrained–random-phase–approximation formalism →Effective Coulomb kernel in constrained random-phase approximation
- 10:3310:33, 7 April 2022 diff hist +167 Template:Cite No edit summary
- 10:1010:10, 7 April 2022 diff hist +10 Constrained–random-phase–approximation formalism →Effective Coulomb kernel in constrained random-phase approximation
- 10:0610:06, 7 April 2022 diff hist +842 Constrained–random-phase–approximation formalism →Effective Coulomb kernel in constrained random-phase approximation
- 10:0110:01, 7 April 2022 diff hist 0 RPA/ACFDT: Correlation energy in the Random Phase Approximation →The Random Phase Approximation
- 09:5009:50, 7 April 2022 diff hist −67 Constrained–random-phase–approximation formalism →Effective Coulomb kernel in constrained random-phase approximation
- 09:1309:13, 7 April 2022 diff hist +1 Low-scaling GW: The space-time formalism →Theory
- 09:0109:01, 7 April 2022 diff hist +40 Constrained–random-phase–approximation formalism →Parameter definitions
- 08:5908:59, 7 April 2022 diff hist +23 Constrained–random-phase–approximation formalism →Parameter definitions
- 08:5808:58, 7 April 2022 diff hist −4 Constrained–random-phase–approximation formalism →Parameter definitions
- 08:5608:56, 7 April 2022 diff hist −8 Constrained–random-phase–approximation formalism →Parameter definitions
- 08:5508:55, 7 April 2022 diff hist +31 Constrained–random-phase–approximation formalism →Wannier basis and target space
- 08:5308:53, 7 April 2022 diff hist +51 Constrained–random-phase–approximation formalism →Wannier basis and target space
- 08:4808:48, 7 April 2022 diff hist −41 Constrained–random-phase–approximation formalism →Wannier basis and target space
- 08:4408:44, 7 April 2022 diff hist 0 Constrained–random-phase–approximation formalism →Model Hamiltonians
- 08:4408:44, 7 April 2022 diff hist +22 Constrained–random-phase–approximation formalism →Model Hamiltonians
- 08:4108:41, 7 April 2022 diff hist −58 Constrained–random-phase–approximation formalism →Wannier basis and target space
- 08:3608:36, 7 April 2022 diff hist +475 Constrained–random-phase–approximation formalism →Wannier basis and target space
- 08:0608:06, 7 April 2022 diff hist +584 Constrained–random-phase–approximation formalism →Wannier basis and target space
- 07:4807:48, 7 April 2022 diff hist +51 N File:Ni d bands decoupled.png Disentangled d states (red) of fcc Ni current
- 07:3807:38, 7 April 2022 diff hist 0 Constrained–random-phase–approximation formalism →Wannier basis and target space
- 07:3807:38, 7 April 2022 diff hist 0 File:Ni d s bands.png Kaltakm uploaded a new version of File:Ni d s bands.png current
- 07:3507:35, 7 April 2022 diff hist +488 Constrained–random-phase–approximation formalism →Model Hamiltonians
- 07:3507:35, 7 April 2022 diff hist 0 File:Ni d s bands.png Kaltakm uploaded a new version of File:Ni d s bands.png
- 07:3207:32, 7 April 2022 diff hist +79 N File:Ni d s bands.png d (red) and s (blue) like bands of fcc Ni around the Fermi energy
- 07:1907:19, 7 April 2022 diff hist +70 N File:SrVO3 t2g bands.png t2g states of SrVO3 form an isolated set of bands (red). current
- 07:1507:15, 7 April 2022 diff hist +314 Constrained–random-phase–approximation formalism No edit summary
- 06:5806:58, 7 April 2022 diff hist +7,308 N Constrained–random-phase–approximation formalism Created page with "The constrained random-phase approximation (CRPA) is a method that allows to calculate the effective interaction parameter U, J and J' for model Hamiltonians. The main idea i..."
- 06:5806:58, 7 April 2022 diff hist 0 Category:Constrained-random-phase approximation No edit summary
6 April 2022
- 15:0815:08, 6 April 2022 diff hist +175 Template:Cite No edit summary
- 12:3812:38, 6 April 2022 diff hist −2 Category:Constrained-random-phase approximation →Theoretical Background
- 12:3212:32, 6 April 2022 diff hist +52 N CRPA Redirected page to Constrained random phase approximation Tag: New redirect
- 12:2912:29, 6 April 2022 diff hist +101 Category:Constrained-random-phase approximation No edit summary
- 12:2612:26, 6 April 2022 diff hist +404 Category:Constrained-random-phase approximation →Theoretical Background
- 12:0212:02, 6 April 2022 diff hist +254 Category:Constrained-random-phase approximation →Theoretical Background
- 11:5611:56, 6 April 2022 diff hist −54 Category:GW →How to
- 11:5511:55, 6 April 2022 diff hist −30 Category:GW No edit summary
- 11:5411:54, 6 April 2022 diff hist +335 Category:GW →Theory
- 11:4411:44, 6 April 2022 diff hist −5 Category:GW No edit summary
- 11:4111:41, 6 April 2022 diff hist +608 Category:GW →Theory
5 April 2022
- 16:3216:32, 5 April 2022 diff hist −15 MAXMEM No edit summary
- 16:2916:29, 5 April 2022 diff hist +34 NTARGET STATES No edit summary
- 16:2816:28, 5 April 2022 diff hist +97 NCRPA BANDS No edit summary
- 16:2616:26, 5 April 2022 diff hist −8 LFINITE TEMPERATURE No edit summary
- 16:2316:23, 5 April 2022 diff hist +51 N GW method Redirected page to GW approximation of Hedin's equations Tag: New redirect
- 16:1516:15, 5 April 2022 diff hist −14 Practical guide to GW calculations →Caveats
- 16:1516:15, 5 April 2022 diff hist +2,188 ACFDT/RPA calculations →Memory bottleneck and Parallelization
- 16:1316:13, 5 April 2022 diff hist 0 Practical guide to GW calculations →Low scaling, single shot GW calculations: G0W0R
- 16:1116:11, 5 April 2022 diff hist +2,201 Practical guide to GW calculations No edit summary
- 12:5612:56, 5 April 2022 diff hist −2 ISMEAR No edit summary
- 12:5512:55, 5 April 2022 diff hist +67 ISMEAR No edit summary
1 April 2022
- 13:2413:24, 1 April 2022 diff hist +69 NTAUPAR No edit summary
- 13:2213:22, 1 April 2022 diff hist +563 NTAUPAR No edit summary Tag: Visual edit: Switched
28 March 2022
- 10:4410:44, 28 March 2022 diff hist +428 ACFDT/RPA calculations →General recipe to calculate ACFDT-RPA total energies
- 10:3210:32, 28 March 2022 diff hist −2 ACFDT/RPA calculations →All-in-one approach to calculate ACFDT-RPA total energy
17 January 2022
- 14:3514:35, 17 January 2022 diff hist −5 ACFDT/RPA calculations →Four-step procedure to calculate ACFDT-RPA total energy
23 November 2021
- 12:4912:49, 23 November 2021 diff hist +31 LSCK →Related Tags and Sections
- 12:4612:46, 23 November 2021 diff hist +166 Basis set convergence of RPA-ACFDT calculations No edit summary current
- 12:4312:43, 23 November 2021 diff hist +31 ENCUTGWSOFT No edit summary
- 12:4212:42, 23 November 2021 diff hist +1,043 N LSCK Created page with "{{TAGDEF|LSCK|[logical]| .FALSE.}} ---- If {{TAG|LSCK}} is set to .TRUE., the squeezed Coulomb kernel is used instead of the cosine window:{{cite|riemelmoser:j..."
- 12:3712:37, 23 November 2021 diff hist +266 ENCUTGWSOFT No edit summary
- 12:2612:26, 23 November 2021 diff hist +450 ENCUTGWSOFT No edit summary Tag: Visual edit: Switched
22 November 2021
- 20:2520:25, 22 November 2021 diff hist +245 Template:Cite No edit summary
- 19:5519:55, 22 November 2021 diff hist +77 Practical guide to GW calculations →Optional: RPA Forces
- 19:5519:55, 22 November 2021 diff hist +86 LRPAFORCE No edit summary
- 19:5419:54, 22 November 2021 diff hist +26 Practical guide to GW calculations →Low scaling GW algorithms
- 19:5219:52, 22 November 2021 diff hist +28 ACFDT/RPA calculations →Low scaling ACFDT/RPA algorithm
- 19:5119:51, 22 November 2021 diff hist −20 ACFDT/RPA calculations →Optional: RPA Forces
- 19:4919:49, 22 November 2021 diff hist +5 Practical guide to GW calculations →Optional: RPA Forces
- 19:4819:48, 22 November 2021 diff hist +101 LFINITE TEMPERATURE No edit summary Tag: Visual edit: Switched
- 17:4017:40, 22 November 2021 diff hist +4 LFINITE TEMPERATURE No edit summary
- 17:3917:39, 22 November 2021 diff hist −1 ACFDT/RPA calculations →== Optional: RPA Forces ==
- 17:3917:39, 22 November 2021 diff hist +1,327 ACFDT/RPA calculations →Low scaling ACFDT/RPA algorithm
- 17:3217:32, 22 November 2021 diff hist 0 Practical guide to GW calculations No edit summary
- 17:3117:31, 22 November 2021 diff hist +26 Practical guide to GW calculations →Optional: RPA Forces
- 17:3017:30, 22 November 2021 diff hist −86 Practical guide to GW calculations →Caveats
- 17:2517:25, 22 November 2021 diff hist +256 Template:Cite No edit summary
- 17:1917:19, 22 November 2021 diff hist +1,232 Practical guide to GW calculations →Low scaling GW algorithms
- 16:4116:41, 22 November 2021 diff hist −2 Practical guide to GW calculations →Low scaling GW algorithms
- 16:4016:40, 22 November 2021 diff hist +247 LRPAFORCE No edit summary
- 16:3616:36, 22 November 2021 diff hist +5 LRPAFORCE No edit summary
- 16:3616:36, 22 November 2021 diff hist +809 N LRPAFORCE Created page with "{{TAGDEF|LRPAFORCE|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: {{TAG|LRPAFORCE}}=.TRUE. calculates forces in the RPA. ---- Available as of VASP.6.1. This tag is optionally u..."
- 15:4615:46, 22 November 2021 diff hist −1 Practical guide to GW calculations →Fully self-consistent GW caluclations: GWR
- 15:4615:46, 22 November 2021 diff hist +167 Practical guide to GW calculations →Fully self-consistent GW caluclations: GWR
- 15:4415:44, 22 November 2021 diff hist +17 Practical guide to GW calculations →Optional: Use Hybrid functionals
- 15:4315:43, 22 November 2021 diff hist +6 Practical guide to GW calculations →Single step procedure: GW in one go
- 13:5013:50, 22 November 2021 diff hist −4 ACFDT/RPA calculations →Output analysis
- 13:4913:49, 22 November 2021 diff hist +620 ACFDT/RPA calculations →Low scaling ACFDT/RPA algorithm
- 13:2913:29, 22 November 2021 diff hist −2 ENCUTGWSOFT No edit summary
- 13:2913:29, 22 November 2021 diff hist −1 ENCUTGWSOFT No edit summary Tag: Visual edit: Switched
- 13:2913:29, 22 November 2021 diff hist +74 ENCUTGWSOFT No edit summary
- 13:2613:26, 22 November 2021 diff hist −11 ACFDT/RPA calculations →General Recipe to Calculate ACFDT-RPA Total Energies
- 13:2013:20, 22 November 2021 diff hist −2 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 13:2013:20, 22 November 2021 diff hist +2 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 13:1913:19, 22 November 2021 diff hist +2 Practical guide to GW calculations →Single step procedure: GW in one go
- 13:1813:18, 22 November 2021 diff hist +10 Practical guide to GW calculations →Low scaling GW algorithms
- 13:1613:16, 22 November 2021 diff hist +191 Practical guide to GW calculations →Low scaling GW algorithms
- 13:1113:11, 22 November 2021 diff hist +29 Practical guide to GW calculations →Caveats
- 13:1013:10, 22 November 2021 diff hist −4 Practical guide to GW calculations →Single step procedure: GW in one go
- 13:0713:07, 22 November 2021 diff hist +35 Practical guide to GW calculations →Fully self-consistent GW caluclations: GWR
- 13:0713:07, 22 November 2021 diff hist +26 Practical guide to GW calculations →Partially self-consistent GW caluclations: GW0R
- 13:0613:06, 22 November 2021 diff hist +35 Practical guide to GW calculations →Caveats
- 13:0613:06, 22 November 2021 diff hist +112 Practical guide to GW calculations →Self-consistent EVGW and QPGW calculations
- 13:0313:03, 22 November 2021 diff hist −68 Practical guide to GW calculations →Partially self-consistent quasi-particle calculations: QPGW0
- 13:0313:03, 22 November 2021 diff hist −2 Practical guide to GW calculations →Single shot quasi-particle energies: G0W0
- 13:0313:03, 22 November 2021 diff hist −69 Practical guide to GW calculations →Partially self-consistent calculations: EVGW0
- 13:0213:02, 22 November 2021 diff hist −104 Practical guide to GW calculations →Single shot quasi-particle energies: G0W0
- 13:0213:02, 22 November 2021 diff hist +38 Practical guide to GW calculations →Single shot quasi-particle energies: G0W0
- 13:0113:01, 22 November 2021 diff hist −94 Practical guide to GW calculations →Optional: Use Hybrid functionals
- 13:0013:00, 22 November 2021 diff hist +104 Practical guide to GW calculations →Partially self-consistent quasi-particle calculations: QPGW0