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
- 13:0013:00, 22 November 2021 diff hist +104 Practical guide to GW calculations →Partially self-consistent calculations: EVGW0
- 13:0013:00, 22 November 2021 diff hist +10 Practical guide to GW calculations →Single shot quasi-particle energies: G0W0
- 12:5912:59, 22 November 2021 diff hist +94 Practical guide to GW calculations →Single shot quasi-particle energies: G0W0
- 12:5812:58, 22 November 2021 diff hist +94 Practical guide to GW calculations →First step: DFT calculation
- 12:5712:57, 22 November 2021 diff hist +689 Practical guide to GW calculations →Single step procedure: GW in one go
- 12:2512:25, 22 November 2021 diff hist −45 NELMGW No edit summary
- 12:2112:21, 22 November 2021 diff hist +24 Practical guide to GW calculations →Single step procedure: GW in one go
- 12:2012:20, 22 November 2021 diff hist +157 NELMGW No edit summary
- 12:1612:16, 22 November 2021 diff hist +14 NELMGW No edit summary
- 12:1612:16, 22 November 2021 diff hist +50 NELMGW No edit summary
- 11:4611:46, 22 November 2021 diff hist −1 NELMGW No edit summary
- 11:4611:46, 22 November 2021 diff hist +1 NELMGW No edit summary
- 11:4311:43, 22 November 2021 diff hist +26 NELMGW No edit summary
- 11:2411:24, 22 November 2021 diff hist +33 Practical guide to GW calculations No edit summary
- 11:1511:15, 22 November 2021 diff hist +23 NELMGW No edit summary Tag: Visual edit: Switched
- 11:1411:14, 22 November 2021 diff hist +559 N NELMGW Created page with "{{TAGDEF|NELMGW|[integer]|1}} Description: Controls the number of self-consistent GW steps. ---- This tag is effective for {{TAG|ALGO}}=EVGW[0] | QPGW[0] | GW[0][R][K] | an..."
- 11:0711:07, 22 November 2021 diff hist −1 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 11:0611:06, 22 November 2021 diff hist +124 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 10:5910:59, 22 November 2021 diff hist −4 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 10:5710:57, 22 November 2021 diff hist +395 Practical guide to GW calculations No edit summary Tag: Visual edit: Switched
11 November 2021
- 13:1313:13, 11 November 2021 diff hist −3 Ionic contributions to the frequency dependent dielectric function of NaCl No edit summary current Tag: Visual edit
5 November 2021
- 15:1915:19, 5 November 2021 diff hist −6 ML LOGFILE →Post-processing usage
- 15:1715:17, 5 November 2021 diff hist +41 ML LOGFILE →Post-processing usage
- 14:5514:55, 5 November 2021 diff hist +15 Practical guide to GW calculations →First step: DFT calculation
2 March 2021
- 09:1209:12, 2 March 2021 diff hist +61 Low-scaling GW: The space-time formalism No edit summary
16 November 2020
- 15:4415:44, 16 November 2020 diff hist −9 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 15:4315:43, 16 November 2020 diff hist 0 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 15:4215:42, 16 November 2020 diff hist −685 ALGO No edit summary
- 15:4115:41, 16 November 2020 diff hist −2,994 Practical guide to GW calculations No edit summary
- 14:3514:35, 16 November 2020 diff hist −866 Practical guide to GW calculations →Low scaling GW algorithms
5 November 2020
- 11:3311:33, 5 November 2020 diff hist +301 Practical guide to GW calculations →Partially self-consistent GW caluclations: GW0R or scGW0R
- 11:0111:01, 5 November 2020 diff hist −94 Practical guide to GW calculations →Low scaling, self-consistent quasi-particle calculations: QPGW0R
- 10:5910:59, 5 November 2020 diff hist +113 Practical guide to GW calculations →Partially self-consistent quasi-particle calculations: QPGW0
- 10:5810:58, 5 November 2020 diff hist +95 NATURALO →Related Tags and Sections
- 10:5110:51, 5 November 2020 diff hist +1 Practical guide to GW calculations →Low scaling, single shot GW calculations: G0W0R
- 10:5010:50, 5 November 2020 diff hist +21 Practical guide to GW calculations →Low scaling, single shot GW calculations: G0W0R
- 10:5010:50, 5 November 2020 diff hist +1 Practical guide to GW calculations →References
- 10:5010:50, 5 November 2020 diff hist +149 Practical guide to GW calculations →References
- 10:4610:46, 5 November 2020 diff hist +37 Practical guide to GW calculations →Related Tags and Sections
- 10:4510:45, 5 November 2020 diff hist −10 Practical guide to GW calculations →Low scaling, single shot GW calculations: G0W0R
- 10:4410:44, 5 November 2020 diff hist −4 Practical guide to GW calculations →Low scaling, single shot GW calculations: G0W0R
- 10:4410:44, 5 November 2020 diff hist +1 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 10:4210:42, 5 November 2020 diff hist +1 Practical guide to GW calculations →Partially self-consistent GW caluclations: GW0R or scGW0R
- 10:3710:37, 5 November 2020 diff hist +14 Practical guide to GW calculations →Low scaling, self-consistent quasi-particle calculations: QPGW0R
- 10:3710:37, 5 November 2020 diff hist +2 Practical guide to GW calculations →Self-consistent EVGW and QPGW calculations
- 10:3510:35, 5 November 2020 diff hist +2 Practical guide to GW calculations →Partially self-consistent calculations: EVGW0
- 10:3410:34, 5 November 2020 diff hist +1,185 Practical guide to GW calculations →Partially self-consistent calculations: EVGW0
- 10:3110:31, 5 November 2020 diff hist +18 Practical guide to GW calculations →Low scaling, single shot GW calculations: G0W0R
- 10:3010:30, 5 November 2020 diff hist +2,805 Practical guide to GW calculations →Low scaling GW algorithms
- 10:2810:28, 5 November 2020 diff hist +1 Practical guide to GW calculations →Fully self-consistent GW caluclations: GWR or scGWR
- 10:2810:28, 5 November 2020 diff hist +1 Practical guide to GW calculations →Low scaling, fully self-consistent quasi-particle calculations: QPGWR
- 10:2810:28, 5 November 2020 diff hist +2 Practical guide to GW calculations →Low scaling, self-consistent quasi-particle calculations: QPGW0R
- 10:2710:27, 5 November 2020 diff hist +2 Practical guide to GW calculations →Caveats
- 10:2710:27, 5 November 2020 diff hist +2 Practical guide to GW calculations →Partially self-consistent quasi-particle calculations: QPGW0
- 10:2710:27, 5 November 2020 diff hist +4 Practical guide to GW calculations →Partially self-consistent calculations: EVGW0
- 10:2710:27, 5 November 2020 diff hist +1 Practical guide to GW calculations →Single shot quasi-particle energies: G0W0
- 10:2610:26, 5 November 2020 diff hist +1 Practical guide to GW calculations →First step: DFT calculation
- 10:2610:26, 5 November 2020 diff hist +61 Practical guide to GW calculations →First step: DFT calculation
- 10:2510:25, 5 November 2020 diff hist +4 Practical guide to GW calculations →Self-consistent EVGW and QPGW calculations
- 10:2410:24, 5 November 2020 diff hist +3 Practical guide to GW calculations →First step: DFT calculation
- 10:2410:24, 5 November 2020 diff hist +3 Practical guide to GW calculations →Optional: Use Hybrid functionals
- 10:2410:24, 5 November 2020 diff hist +1 Practical guide to GW calculations →Single shot quasi-particle energies: G0W0
- 10:2110:21, 5 November 2020 diff hist −4 Practical guide to GW calculations →Single shot quasi-particle energies: G0W0
- 09:5509:55, 5 November 2020 diff hist +2 Practical guide to GW calculations No edit summary
- 09:5509:55, 5 November 2020 diff hist +34 Practical guide to GW calculations No edit summary
- 09:2309:23, 5 November 2020 diff hist +318 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 09:1309:13, 5 November 2020 diff hist −9 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 09:1309:13, 5 November 2020 diff hist +9 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 09:1209:12, 5 November 2020 diff hist +15 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 09:1109:11, 5 November 2020 diff hist −10 Practical guide to GW calculations →Fully self-consistent GW caluclations: GWR or scGWR
- 09:1009:10, 5 November 2020 diff hist +2 Practical guide to GW calculations →Partially self-consistent GW caluclations: GW0R or scGW0R
1 September 2020
- 07:4007:40, 1 September 2020 diff hist +144 AMIX No edit summary
25 August 2020
- 13:1713:17, 25 August 2020 diff hist +114 NEDOS No edit summary
- 13:1413:14, 25 August 2020 diff hist +79 LCALCPOL No edit summary
16 June 2020
- 14:3314:33, 16 June 2020 diff hist +5 Matsubara formalism No edit summary
- 14:3214:32, 16 June 2020 diff hist −32 Matsubara formalism No edit summary
- 14:3114:31, 16 June 2020 diff hist −1 Matsubara formalism No edit summary
- 14:3114:31, 16 June 2020 diff hist +8 Matsubara formalism No edit summary
- 14:3014:30, 16 June 2020 diff hist +2,151 Matsubara formalism No edit summary
- 13:1113:11, 16 June 2020 diff hist +147 Template:Cite No edit summary
- 13:0513:05, 16 June 2020 diff hist +9 Template:Cite No edit summary
- 13:0413:04, 16 June 2020 diff hist +65 Matsubara formalism No edit summary
- 13:0413:04, 16 June 2020 diff hist +173 Template:Cite No edit summary
- 12:5912:59, 16 June 2020 diff hist +365 LFINITE TEMPERATURE No edit summary
- 12:5212:52, 16 June 2020 diff hist +1 Template:Cite No edit summary
- 12:5212:52, 16 June 2020 diff hist +184 Template:Cite No edit summary
- 12:3112:31, 16 June 2020 diff hist +10 LFINITE TEMPERATURE No edit summary
- 12:2912:29, 16 June 2020 diff hist +416 N LFINITE TEMPERATURE Created page with "{{TAGDEF|LFINITE_TEMPERATURE|[logical]|.FALSE.}} Description: {{TAG|LWAVE}} determines whether the wavefunctions are written to the {{TAG|WAVECAR}} file at the end of a run...."
- 12:2112:21, 16 June 2020 diff hist +117 Matsubara formalism No edit summary
- 12:2112:21, 16 June 2020 diff hist +83 ACFDT/RPA calculations →Related Tags and Sections
- 12:1712:17, 16 June 2020 diff hist +115 N Matsubara formalism Created page with "The zero-temperature formalism of many-body perturbation theory breaks down for metals (system with zero band gap)."
- 12:1612:16, 16 June 2020 diff hist +92 RPA/ACFDT: Correlation energy in the Random Phase Approximation No edit summary
24 February 2020
- 14:5514:55, 24 February 2020 diff hist +36 KPAR No edit summary
- 14:5414:54, 24 February 2020 diff hist +17 KPAR No edit summary
- 14:5014:50, 24 February 2020 diff hist +16 KPAR No edit summary
- 14:5014:50, 24 February 2020 diff hist +14 LMP2LT →Related Tags and Sections
- 14:4914:49, 24 February 2020 diff hist +14 NSTORB →Related Tags and Sections
- 14:4914:49, 24 February 2020 diff hist +14 LSMP2LT →Related Tags and Sections
- 14:4914:49, 24 February 2020 diff hist +312 KPAR No edit summary
- 14:4114:41, 24 February 2020 diff hist −51 NSTORB No edit summary
- 14:4114:41, 24 February 2020 diff hist 0 NSTORB No edit summary
- 14:4014:40, 24 February 2020 diff hist +957 N NSTORB Created page with "{{TAGDEF|NSTORB|[integer]}} {{DEF|NSTORB|-1|}} Description: {{TAG|NSTORB}} specifies the number of stochastic orbitals per cycle in the stochastic MP2 algorithm.{{cite|Schaef..."
- 14:3514:35, 24 February 2020 diff hist +17 LMP2LT →Related Tags and Sections
- 14:3414:34, 24 February 2020 diff hist +1,140 N ESTOP Created page with "{{TAGDEF|ESTOP|[real]}} {{DEF|ESTOP|0.05| }} Description: {{TAG|ESTOP}} specifies the stop condition for stochastic MP2.{{cite|Schaefer:JCP2017}} ---- {{TAGBL|ESTOP}} define..."
- 14:2514:25, 24 February 2020 diff hist +714 N LSMP2LT Created page with "{{TAGDEF|LSMP2LT|.FALSE. {{!}} .TRUE.}} {{DEF|LSMP2LT|.FALSE.|}} Description: {{TAG|LSMP2LT}} selects a stochastic Laplace transformed MP2 algorithm. ---- If {{TAG|LSMP2LT}}..."
- 14:2214:22, 24 February 2020 diff hist −2 Stochastic LTMP2 No edit summary
- 14:2114:21, 24 February 2020 diff hist +1 MP2 No edit summary
- 14:2114:21, 24 February 2020 diff hist −22 Stochastic LTMP2 No edit summary
- 14:2014:20, 24 February 2020 diff hist +1,842 N MP2 Created page with "By specifying {{TAG|ALGO}}=''MP2'' in the {{TAG|INCAR}} file VASP calculates MP2 correlation energies. It is strongly recommended to calculate all virtual states spanned by th..."
- 14:1814:18, 24 February 2020 diff hist +90 Stochastic LTMP2 →The INCAR file
- 14:1614:16, 24 February 2020 diff hist +2 LMP2LT No edit summary
- 14:1614:16, 24 February 2020 diff hist +8 LMP2LT No edit summary
- 14:1514:15, 24 February 2020 diff hist +2 Template:Cite No edit summary
- 14:1514:15, 24 February 2020 diff hist +647 N LMP2LT Created page with "{{TAGDEF|LMP2LT|.FALSE. {{!}} .TRUE.}} {{DEF|LMP2LT|.FALSE.|}} Description: {{TAG|LMP2LT}} selects a Laplace transformed MP2 algorithm. ---- If {{TAG|LMP2LT}}=.TRUE. and {{T..."
- 14:0214:02, 24 February 2020 diff hist +172 Template:Cite No edit summary
3 February 2020
- 11:1011:10, 3 February 2020 diff hist 0 MAXMEM No edit summary
- 11:1011:10, 3 February 2020 diff hist +5 MAXMEM No edit summary
31 January 2020
- 15:1015:10, 31 January 2020 diff hist −11 Toolchains No edit summary
- 15:1015:10, 31 January 2020 diff hist −8 Toolchains No edit summary
- 15:0915:09, 31 January 2020 diff hist +12 Toolchains No edit summary
- 15:0715:07, 31 January 2020 diff hist +196 Toolchains No edit summary
- 15:0215:02, 31 January 2020 diff hist +530 Toolchains No edit summary
- 14:5414:54, 31 January 2020 diff hist −1 Construction:Linking gfortran with Intel MKL No edit summary
- 14:5314:53, 31 January 2020 diff hist 0 Construction:Linking gfortran with Intel MKL No edit summary
- 14:5314:53, 31 January 2020 diff hist +25 Toolchains No edit summary
- 14:5114:51, 31 January 2020 diff hist −153 Toolchains No edit summary
- 14:3814:38, 31 January 2020 diff hist +2,325 Toolchains No edit summary
30 January 2020
- 08:2008:20, 30 January 2020 diff hist −17 Validation tests →Directly execute the runtest script
- 08:1908:19, 30 January 2020 diff hist +4 Validation tests →Directly execute the runtest script
16 December 2019
- 14:0414:04, 16 December 2019 diff hist +3 LFOCKACE No edit summary
- 14:0214:02, 16 December 2019 diff hist +831 LFOCKACE No edit summary
- 13:3513:35, 16 December 2019 diff hist +62 LFOCKACE No edit summary
- 13:3313:33, 16 December 2019 diff hist +1 LFOCKACE No edit summary
- 13:3313:33, 16 December 2019 diff hist +603 N LFOCKACE Created page with "{{TAGDEF|LFOCKACE|.TRUE. {{!}} .FALSE. | .TRUE.}} Description: {{TAG|LHFCALC}} determines whether the Adaptively Compressed Exchange Operator is used.{{cite|linlin:jctc:2016}..."
- 13:3013:30, 16 December 2019 diff hist +156 Template:Cite No edit summary
29 October 2019
- 19:1819:18, 29 October 2019 diff hist +2 IOP Chester 2019 →Surfaces and Interfaces current
- 19:1719:17, 29 October 2019 diff hist +3 IOP Chester 2019 →Optimisation in the bulk
- 19:1719:17, 29 October 2019 diff hist +127 IOP Chester 2019 →Further Examples
- 10:3710:37, 29 October 2019 diff hist 0 IOP Chester 2019 →Lectures
- 10:3710:37, 29 October 2019 diff hist −1 IOP Chester 2019 →Lectures
- 10:3610:36, 29 October 2019 diff hist −7 IOP Chester 2019 →Lectures
23 October 2019
- 17:3817:38, 23 October 2019 diff hist +3 IOP Chester 2019 →Tutorials
- 16:5716:57, 23 October 2019 diff hist +132 IOP Chester 2019 →Tutorials
- 15:0815:08, 23 October 2019 diff hist +1 IOP Chester 2019 →Lectures
- 12:4512:45, 23 October 2019 diff hist +184 IOP Chester 2019 →Lectures
- 11:1811:18, 23 October 2019 diff hist +15 IOP Chester 2019 →Surfaces
- 11:0311:03, 23 October 2019 diff hist +142 IOP Chester 2019 →Allocating Computing Nodes and Environment Setup
- 10:4910:49, 23 October 2019 diff hist +1 IOP Chester 2019 →Surfaces
- 10:4710:47, 23 October 2019 diff hist +186 IOP Chester 2019 →Further Examples
22 October 2019
- 16:0716:07, 22 October 2019 diff hist 0 IOP Chester 2019 →Allocating Computing Nodes and Environment Setup
- 16:0416:04, 22 October 2019 diff hist −1 IOP Chester 2019 →Allocating Computing Nodes and Environment Setup
- 15:5315:53, 22 October 2019 diff hist +15 IOP Chester 2019 →Allocating Computing Nodes and Environment Setup
- 14:5014:50, 22 October 2019 diff hist +35 IOP Chester 2019 →Allocating Computing Nodes and Environment Setup
- 14:2614:26, 22 October 2019 diff hist −26 IOP Chester 2019 →Install sumo for post processing
- 13:5313:53, 22 October 2019 diff hist +69 IOP Chester 2019 →Tutorials
- 13:4413:44, 22 October 2019 diff hist +383 IOP Chester 2019 No edit summary
- 13:2413:24, 22 October 2019 diff hist +122 IOP Chester 2019 No edit summary
- 13:1913:19, 22 October 2019 diff hist +2,011 IOP Chester 2019 No edit summary
- 11:1211:12, 22 October 2019 diff hist −1 Chester 2019 →Allocating Computing Nodes and Environment Setup current
- 11:0911:09, 22 October 2019 diff hist −35 Chester 2019 No edit summary
- 10:5810:58, 22 October 2019 diff hist 0 Chester 2019 →Allocating Computing Nodes and Environment Setup
- 10:5710:57, 22 October 2019 diff hist +35 Chester 2019 →Allocating Computing Nodes and Environment Setup
- 10:5610:56, 22 October 2019 diff hist +1 Chester 2019 No edit summary
- 10:5210:52, 22 October 2019 diff hist +405 Chester 2019 No edit summary
- 10:4110:41, 22 October 2019 diff hist +308 Chester 2019 →Environment Setup
- 10:3110:31, 22 October 2019 diff hist +148 Chester 2019 →Environment Setup
- 10:2810:28, 22 October 2019 diff hist +2,531 N Chester 2019 Created page with "== Lectures == *[http://www.vasp.at/vasp-workshop/lectures/VASP_lecture_Basics1.pdf DFT, PW, and PAW]: "VASP: The basics(1). DFT, plane waves, PAW, ...". *[http://www.vasp.a..."
23 September 2019
- 14:4614:46, 23 September 2019 diff hist +1 Sigma2 Oslo 2019 →Environment Setup current
- 13:2513:25, 23 September 2019 diff hist 0 Sigma2 Oslo 2019 →Environment Setup
- 13:2513:25, 23 September 2019 diff hist +486 Sigma2 Oslo 2019 No edit summary
- 13:1913:19, 23 September 2019 diff hist −1 Sigma2 Oslo 2019 →Tutorials
20 September 2019
- 10:3110:31, 20 September 2019 diff hist −12 Construction:A Ubuntu based installation of VASP →Linking to MKL
28 August 2019
- 13:2813:28, 28 August 2019 diff hist +117 Construction:A CentOS based installation of VASP No edit summary
- 13:2613:26, 28 August 2019 diff hist +131 Construction:A CentOS based installation of VASP No edit summary
- 13:2213:22, 28 August 2019 diff hist +153 Construction:A CentOS based installation of VASP No edit summary
- 13:1913:19, 28 August 2019 diff hist +108 Construction:A CentOS based installation of VASP No edit summary
- 13:1713:17, 28 August 2019 diff hist +4,850 N Construction:A CentOS based installation of VASP Created page with "The following guide was tested with CentOS 7 installed in virtualbox 5. Install following packages in CentOS: # yum install gcc-gfortran gcc-g++ lapack-devel fftw-devel op..."
26 August 2019
- 17:0317:03, 26 August 2019 diff hist 0 LSCAAWARE No edit summary
- 17:0217:02, 26 August 2019 diff hist +145 LSCAAWARE No edit summary
- 16:5116:51, 26 August 2019 diff hist −7 LSCAAWARE No edit summary
- 16:5016:50, 26 August 2019 diff hist −1 LSCAAWARE No edit summary
- 16:4916:49, 26 August 2019 diff hist −8 LSCAAWARE No edit summary
- 16:4816:48, 26 August 2019 diff hist +646 N LSCAAWARE Created page with "{{TAGDEF|LSCAAWAVE|[logical]}} {{DEF|LSCAAWARE|.TRUE.|if VASP is compiled with scaLAPACK support (precompiler flag -DscaLAPACK)|.FALSE.|otherwise}} Description: {{TAG|LSCAAWA..."
- 11:1011:10, 26 August 2019 diff hist +91 Construction:Linking gfortran with Intel MKL No edit summary
- 11:0411:04, 26 August 2019 diff hist −12 Makefile.include.linux intel cuda No edit summary current
- 11:0411:04, 26 August 2019 diff hist −12 Makefile.include.linux gfortran No edit summary current
- 11:0411:04, 26 August 2019 diff hist −12 Makefile.include.linux intel No edit summary
- 11:0411:04, 26 August 2019 diff hist −12 Construction:A Debian based installation of VASP No edit summary
- 11:0311:03, 26 August 2019 diff hist −12 Construction:A Ubuntu based installation of VASP No edit summary
- 11:0311:03, 26 August 2019 diff hist −12 Construction:A Fedora based installation of VASP No edit summary
- 11:0311:03, 26 August 2019 diff hist −12 Construction:Linking gfortran with Intel MKL No edit summary
- 10:5710:57, 26 August 2019 diff hist −1,373 Construction:Linking gfortran with Intel MKL No edit summary
23 August 2019
- 11:4111:41, 23 August 2019 diff hist −95 LSORBIT →Assumptions and output
- 11:4111:41, 23 August 2019 diff hist −1 LSORBIT →Assumptions and output
- 11:4111:41, 23 August 2019 diff hist +87 LSORBIT →Assumptions and output
- 11:3611:36, 23 August 2019 diff hist −5 LSORBIT →Assumptions and output
- 11:3311:33, 23 August 2019 diff hist −25 LSORBIT →Assumptions and output
- 11:3111:31, 23 August 2019 diff hist −1 LSORBIT →Assumptions and output
- 11:2911:29, 23 August 2019 diff hist +2,627 LSORBIT No edit summary
- 10:5010:50, 23 August 2019 diff hist +190 Template:Cite No edit summary
12 August 2019
- 16:0416:04, 12 August 2019 diff hist −13 LSUBROT No edit summary
- 16:0016:00, 12 August 2019 diff hist −14 NELMDL No edit summary
- 14:4714:47, 12 August 2019 diff hist +1 LSUBROT No edit summary
- 14:4614:46, 12 August 2019 diff hist +14 IALGO →Related Tags and Sections
- 14:0814:08, 12 August 2019 diff hist 0 IALGO →Direct optimization
- 13:0913:09, 12 August 2019 diff hist +1 MAXMEM →Related Tags and Sections
- 13:0913:09, 12 August 2019 diff hist +24 MAXMEM →Related Tags and Sections
- 13:0913:09, 12 August 2019 diff hist +52 NOMEGA No edit summary
- 13:0813:08, 12 August 2019 diff hist +146 NOMEGA No edit summary
- 13:0613:06, 12 August 2019 diff hist −29 NOMEGA No edit summary
- 13:0613:06, 12 August 2019 diff hist +29 NOMEGA No edit summary
- 13:0513:05, 12 August 2019 diff hist +18 NOMEGA No edit summary
- 13:0413:04, 12 August 2019 diff hist +33 MAXMEM No edit summary
- 13:0213:02, 12 August 2019 diff hist +212 MAXMEM No edit summary
- 12:5612:56, 12 August 2019 diff hist −1 Practical guide to GW calculations →Caveats
- 12:5612:56, 12 August 2019 diff hist −23 Practical guide to GW calculations →Low scaling GW algorithms
- 12:5212:52, 12 August 2019 diff hist −2,369 ACFDT/RPA calculations →Memory bottleneck and Parallelization
- 12:4312:43, 12 August 2019 diff hist −143 ACFDT/RPA calculations →Memory bottleneck and Parallelization
- 12:3812:38, 12 August 2019 diff hist −296 ACFDT/RPA calculations →Memory bottleneck and Parallelization
- 12:3712:37, 12 August 2019 diff hist −30 ACFDT/RPA calculations →Storage requirements
- 12:3712:37, 12 August 2019 diff hist +14 ACFDT/RPA calculations →Note on Parallelization
- 12:3712:37, 12 August 2019 diff hist +56 ACFDT/RPA calculations →Note on Parallelization
- 12:3312:33, 12 August 2019 diff hist +17 Practical guide to GW calculations →Related Tags and Sections
- 12:3212:32, 12 August 2019 diff hist +18 ACFDT/RPA calculations No edit summary
- 12:3212:32, 12 August 2019 diff hist +69 ACFDT/RPA calculations →Related Tags and Sections
- 12:3112:31, 12 August 2019 diff hist +35 ACFDT/RPA calculations No edit summary
- 12:2912:29, 12 August 2019 diff hist −27 ACFDT/RPA calculations →Some Issues Particular to ACFDT-RPA Calculations on Metals
- 12:2812:28, 12 August 2019 diff hist −8 ACFDT/RPA calculations →Some Issues Particular to ACFDT-RPA Calculations on Metals
- 12:2812:28, 12 August 2019 diff hist +794 ACFDT/RPA calculations →Storage requirements
- 11:3411:34, 12 August 2019 diff hist −118 Practical guide to GW calculations →Optional: Use Hybrid functionals
- 11:3211:32, 12 August 2019 diff hist +28 Practical guide to GW calculations →Optional: Use Hybrid functionals
- 11:2811:28, 12 August 2019 diff hist +150 NTAUPAR No edit summary
- 11:2411:24, 12 August 2019 diff hist +22 MAXMEM No edit summary
- 11:2211:22, 12 August 2019 diff hist +293 MAXMEM No edit summary
6 August 2019
- 16:1416:14, 6 August 2019 diff hist +2 MAXMEM No edit summary
- 16:1016:10, 6 August 2019 diff hist +8 MAXMEM No edit summary
2 August 2019
- 10:2310:23, 2 August 2019 diff hist +1,498 ACFDT/RPA calculations →General Recipe to Calculate ACFDT-RPA Total Energies
- 10:2310:23, 2 August 2019 diff hist −1,482 ACFDT/RPA calculations →General Recipe to Calculate ACFDT-RPA Total Energies
- 10:2110:21, 2 August 2019 diff hist −1 ACFDT/RPA calculations No edit summary
- 10:2110:21, 2 August 2019 diff hist +40 ACFDT/RPA calculations →General Recipe to Calculate ACFDT-RPA Total Energies
- 10:2010:20, 2 August 2019 diff hist +34 ACFDT/RPA calculations →Possible tests and known issues
- 10:1910:19, 2 August 2019 diff hist +1,442 ACFDT/RPA calculations →General Recipe to Calculate ACFDT-RPA Total Energies
- 10:0910:09, 2 August 2019 diff hist −2 ACFDT/RPA calculations →General Recipe to Calculate ACFDT-RPA Total Energies
- 10:0810:08, 2 August 2019 diff hist +14 Low-scaling GW: The space-time formalism →Theory
- 10:0810:08, 2 August 2019 diff hist −1 Low-scaling GW: The space-time formalism →Theory
- 10:0710:07, 2 August 2019 diff hist −33 Low-scaling GW: The space-time formalism →Theory
- 10:0510:05, 2 August 2019 diff hist 0 RPA/ACFDT: Correlation energy in the Random Phase Approximation →The Random Phase Approximation
- 10:0410:04, 2 August 2019 diff hist −1 RPA/ACFDT: Correlation energy in the Random Phase Approximation →The Random Phase Approximation
- 10:0410:04, 2 August 2019 diff hist 0 ACFDT/RPA calculations No edit summary
- 10:0310:03, 2 August 2019 diff hist 0 ACFDT/RPA calculations No edit summary