User contributions for Kresse
12 March 2024
- 17:0217:02, 12 March 2024 diff hist +14 NTEMPER No edit summary current Tag: Visual edit: Switched
- 17:0117:01, 12 March 2024 diff hist +67 NTEMPER No edit summary
- 17:0117:01, 12 March 2024 diff hist +22 NTEMPER No edit summary
- 16:4616:46, 12 March 2024 diff hist +183 m NTEMPER No edit summary
- 16:4116:41, 12 March 2024 diff hist +256 m IMAGES NTEMPER=0 added current
16 February 2024
- 15:5815:58, 16 February 2024 diff hist +16 Available PAW potentials No edit summary current
15 November 2023
- 20:2620:26, 15 November 2023 diff hist −1 IBRION →{{TAG|IBRION}}=7 and 8: second derivatives, Hessian matrix, and phonon frequencies (perturbation theory).
- 20:2520:25, 15 November 2023 diff hist +12 m IBRION →{{TAG|IBRION}}=5 and 6: second derivatives, Hessian matrix and phonon frequencies (finite differences).
- 20:2420:24, 15 November 2023 diff hist −1 m EDIFF No edit summary current
- 20:2320:23, 15 November 2023 diff hist −10 m EDIFF No edit summary
- 20:1920:19, 15 November 2023 diff hist +231 EDIFF No edit summary
- 20:1020:10, 15 November 2023 diff hist +332 m IBRION Suggestion to set EDIFF to 1E-6 for IBRION=5-8 Tag: Visual edit: Switched
2 November 2023
- 16:2116:21, 2 November 2023 diff hist +720 m ACFDT/RPA calculations Added explanation on how RPA forces are used to suggest a new set of positions.
13 October 2023
- 07:1207:12, 13 October 2023 diff hist +1 m ML SCLC CTIFOR →Related tags and articles Tag: Visual edit
- 07:1007:10, 13 October 2023 diff hist +515 ML SCLC CTIFOR Complete rewrite to improve clarity
- 06:4606:46, 13 October 2023 diff hist +168 ML CTIFOR Reference to ML_SCLC_CTIFOR added current Tag: Visual edit: Switched
- 06:4006:40, 13 October 2023 diff hist +47 m ML CTIFOR No edit summary
21 September 2023
- 07:5407:54, 21 September 2023 diff hist +504 ISIF Explanation of sign convention for stress tensor in VASP.
20 September 2023
- 08:3008:30, 20 September 2023 diff hist +5 m LSORBIT No edit summary Tag: Visual edit
- 08:2608:26, 20 September 2023 diff hist +195 LSORBIT Rephrased paragraph where switching off symmetry is recommended. Tag: Visual edit
2 June 2023
- 08:5008:50, 2 June 2023 diff hist +66 NBLOCK No edit summary Tag: Visual edit
9 May 2023
- 13:3513:35, 9 May 2023 diff hist −19 m ML RCUT2 Type corrected. current Tag: Visual edit: Switched
- 12:0812:08, 9 May 2023 diff hist +20 m ML RCUT2 No edit summary Tag: Visual edit: Switched
- 12:0612:06, 9 May 2023 diff hist +47 m ML RCUT2 No edit summary Tag: Visual edit: Switched
- 12:0412:04, 9 May 2023 diff hist +372 ML RCUT2 Hints on how to vary ML_RCUT1 Tag: Visual edit
28 April 2023
- 14:0614:06, 28 April 2023 diff hist +199 LREAL No edit summary Tag: Visual edit
12 April 2023
- 07:3107:31, 12 April 2023 diff hist +104 NATURALO No edit summary
- 07:2607:26, 12 April 2023 diff hist +82 m NATURALO HF singles documented Tag: Visual edit
11 April 2023
- 13:5213:52, 11 April 2023 diff hist +1 m PMASS No edit summary Tag: Visual edit
3 April 2023
- 17:0817:08, 3 April 2023 diff hist −29 m ML MODE No edit summary Tag: Visual edit
2 April 2023
- 08:5508:55, 2 April 2023 diff hist +9 m ML CTIFOR No edit summary Tag: Visual edit
- 08:5508:55, 2 April 2023 diff hist +363 ML CTIFOR Added typical values that ML_CTIFOR will attain. Tag: Visual edit
31 March 2023
- 15:4115:41, 31 March 2023 diff hist +1,212 Best practices for machine-learned force fields Improvements in many places, mostly grammer, but also added hints Tag: Visual edit
30 March 2023
- 17:5717:57, 30 March 2023 diff hist 0 m LFOCKACE No edit summary Tag: Visual edit
- 17:5317:53, 30 March 2023 diff hist −5 LFOCKACE No edit summary Tag: Visual edit
- 17:5217:52, 30 March 2023 diff hist +70 m LFOCKACE No edit summary Tag: Visual edit
- 17:5117:51, 30 March 2023 diff hist +222 m LFOCKACE Good scientific practice added. Tag: Visual edit
- 11:3211:32, 30 March 2023 diff hist +28 ML MODE No edit summary Tag: Visual edit
29 March 2023
- 12:1712:17, 29 March 2023 diff hist +48 m NMAXFOCKAE and LMAXFOCKAE No edit summary current Tag: Visual edit
- 12:1412:14, 29 March 2023 diff hist +303 m NMAXFOCKAE and LMAXFOCKAE No edit summary Tag: Visual edit
- 12:0812:08, 29 March 2023 diff hist +4 NMAXFOCKAE and LMAXFOCKAE No edit summary Tag: Visual edit
- 10:3710:37, 29 March 2023 diff hist +134 NMAXFOCKAE and LMAXFOCKAE References added Tag: Visual edit
27 March 2023
- 14:4714:47, 27 March 2023 diff hist +21 ML MODE No edit summary Tag: Visual edit
- 14:4614:46, 27 March 2023 diff hist +4 ML MODE No edit summary Tag: Visual edit
- 14:4414:44, 27 March 2023 diff hist +38 ML MODE No edit summary Tag: Visual edit
- 14:4214:42, 27 March 2023 diff hist 0 ML MODE No edit summary Tag: Visual edit
- 14:4214:42, 27 March 2023 diff hist +173 ML MODE No edit summary Tag: Visual edit
- 14:3714:37, 27 March 2023 diff hist −11 ML MODE No edit summary Tag: Visual edit
- 14:3614:36, 27 March 2023 diff hist +120 ML MODE No edit summary Tag: Visual edit
- 14:3314:33, 27 March 2023 diff hist +94 ML MODE No edit summary Tag: Visual edit
- 14:3214:32, 27 March 2023 diff hist −12 ML MODE No edit summary Tag: Visual edit
- 14:3114:31, 27 March 2023 diff hist −2,123 ML MODE No edit summary Tag: Visual edit
- 14:2314:23, 27 March 2023 diff hist +14 ML MODE No edit summary
- 14:1414:14, 27 March 2023 diff hist +93 ML MODE No edit summary
22 March 2023
- 06:4806:48, 22 March 2023 diff hist +6 m PSTRESS No edit summary
21 March 2023
- 18:3918:39, 21 March 2023 diff hist +520 PSTRESS Updated some mistakes in sign conventions. Improved wording. Explicitly discuss tensile and compressive stress and how this changes volume.
- 16:0716:07, 21 March 2023 diff hist +102 m PCDAT No edit summary
22 February 2023
- 18:1818:18, 22 February 2023 diff hist +45 ML SCLC CTIFOR No edit summary Tag: Visual edit
- 18:1818:18, 22 February 2023 diff hist +129 ML SCLC CTIFOR No edit summary Tag: Visual edit
19 December 2022
- 08:5708:57, 19 December 2022 diff hist +127 m ML MB No edit summary Tag: Visual edit
- 08:4208:42, 19 December 2022 diff hist +496 ML MB No edit summary
10 November 2022
- 13:0213:02, 10 November 2022 diff hist +224 LMAXPAW Discourage the use of LMAXPAW=-1 current
31 October 2022
- 07:5707:57, 31 October 2022 diff hist +54 m CHGCAR No edit summary Tag: Visual edit
18 September 2022
- 06:4106:41, 18 September 2022 diff hist +136 m ML CTIFOR No edit summary Tag: Visual edit
- 06:3906:39, 18 September 2022 diff hist +1 m ML ICRITERIA No edit summary
17 September 2022
- 15:2415:24, 17 September 2022 diff hist +15 m ML CX No edit summary current Tag: Visual edit
- 15:2115:21, 17 September 2022 diff hist +31 m ML CTIFOR No edit summary Tag: Visual edit
- 15:2015:20, 17 September 2022 diff hist +42 m ML CX No edit summary
- 15:1815:18, 17 September 2022 diff hist +2 m ML ICRITERIA No edit summary
- 10:2310:23, 17 September 2022 diff hist +4 m ML ICRITERIA No edit summary
- 10:2210:22, 17 September 2022 diff hist +294 ML MHIS ICRITERIA=2 added.
- 10:1510:15, 17 September 2022 diff hist −9 m ML ICRITERIA No edit summary Tag: Visual edit: Switched
- 10:1110:11, 17 September 2022 diff hist −107 m ML ICRITERIA No edit summary
- 10:0410:04, 17 September 2022 diff hist −1 m ML CX No edit summary Tag: Visual edit
- 09:5509:55, 17 September 2022 diff hist +68 m ML CX No edit summary Tag: Visual edit
- 09:5309:53, 17 September 2022 diff hist +32 m ML CX No edit summary Tag: Visual edit
- 09:5109:51, 17 September 2022 diff hist +417 ML CX ML_ICRITERIA=2 explained in more detail. Tag: Visual edit
- 09:4709:47, 17 September 2022 diff hist +12 ML MHIS No edit summary
- 09:3809:38, 17 September 2022 diff hist +315 m ML MHIS No edit summary
- 09:3109:31, 17 September 2022 diff hist +2,668 ML ICRITERIA ML_ICRITERIA=2 explained in more detail. Attempting to give a more concise overview.
16 September 2022
- 18:4218:42, 16 September 2022 diff hist +26 Best practices for machine-learned force fields →Accuracy
13 September 2022
- 08:4208:42, 13 September 2022 diff hist +229 ML ICRITERIA ML_XMIX reference added
12 September 2022
- 20:3120:31, 12 September 2022 diff hist +161 m Best practices for machine-learned force fields →Accurate force fields
- 20:0620:06, 12 September 2022 diff hist +247 Best practices for machine-learned force fields →Accurate force fields: Added ML_ISTART=3 as an alternative route
- 20:0120:01, 12 September 2022 diff hist +270 Best practices for machine-learned force fields →Retraining with re-selection of local reference configurations: small improvements and NSW added
- 19:4919:49, 12 September 2022 diff hist +423 Best practices for machine-learned force fields Added some for recommendations for ML_CTIFOR, and an best practice example line.
26 August 2022
- 08:5408:54, 26 August 2022 diff hist −1 ML ISTART No edit summary
- 08:5408:54, 26 August 2022 diff hist +44 ML MCONF NEW No edit summary
- 08:4708:47, 26 August 2022 diff hist +250 ML ISTART No edit summary
- 08:4208:42, 26 August 2022 diff hist +67 ML MCONF NEW No edit summary
10 August 2022
- 13:4913:49, 10 August 2022 diff hist +12 NATURALO No edit summary
- 13:4613:46, 10 August 2022 diff hist +43 NATURALO No edit summary
29 July 2022
- 09:2509:25, 29 July 2022 diff hist +22 ML MCONF NEW Documented that increasing the parameter for ML_ISTART=3 increases efficiency.
- 09:2409:24, 29 July 2022 diff hist +1 ML MCONF NEW No edit summary
- 09:2309:23, 29 July 2022 diff hist +135 ML MCONF NEW No edit summary
17 May 2022
- 19:3719:37, 17 May 2022 diff hist −1 NBLOCK No edit summary
- 19:3719:37, 17 May 2022 diff hist +79 NBLOCK No edit summary
27 April 2022
- 16:1016:10, 27 April 2022 diff hist +162 m ML LMAX2 Smallest safe settig for LMAX
- 12:3612:36, 27 April 2022 diff hist +46 ML EPS LOW Updated recommendation for value range
5 April 2022
- 07:5607:56, 5 April 2022 diff hist +941 NTEMPER Update to describe most recent update for NTEMPER
29 March 2022
- 18:4518:45, 29 March 2022 diff hist +397 PSTRESS Edit brief description how to correct for Pulay stress
23 March 2022
- 17:3717:37, 23 March 2022 diff hist −2 ML CTIFOR No edit summary
- 17:2217:22, 23 March 2022 diff hist +56 m ML EPS REG Wording further improved
- 17:1717:17, 23 March 2022 diff hist +105 m ML EPS REG Wording improved
18 March 2022
- 07:5307:53, 18 March 2022 diff hist +110 m LTEMPER No edit summary
- 07:4907:49, 18 March 2022 diff hist +868 m LTEMPER References added, equations added
17 March 2022
- 08:3008:30, 17 March 2022 diff hist +65 LTEMPER No edit summary
- 08:3008:30, 17 March 2022 diff hist +65 LTEMPER No edit summary
- 08:2808:28, 17 March 2022 diff hist +558 N NTEMPER Created page with "{{TAGDEF|NTEMPER|[integer]| 200}} Description: {{TAG|NTEMPER}} specified how often temperature swaps are attempted during parallel tempering. The flag must be used in combina..."
- 08:0808:08, 17 March 2022 diff hist +1,555 N LTEMPER Created page with "{{TAGDEF|LTEMPER|[logical]|.FALSE.}} Description: {{TAG|LTEMPER}} specified whether parallel tempering is used. The flag must be used in combination with {{TAG|IMAGES}}. --..."
15 March 2022
- 14:3514:35, 15 March 2022 diff hist +1,155 MAXMIX Description when not to use MAXMIX added
16 February 2022
- 13:2613:26, 16 February 2022 diff hist −14 m ML SION1 Cross reference updated to Accurate force fields
- 13:2513:25, 16 February 2022 diff hist +217 m ML SION1 Cross reference to Sparsification of local reference configurations
- 08:5608:56, 16 February 2022 diff hist −86 ML EPS LOW No edit summary
3 February 2022
- 07:1107:11, 3 February 2022 diff hist +386 ML IALGO LINREG No edit summary
21 January 2022
- 14:0514:05, 21 January 2022 diff hist −112 Energy vs volume Volume relaxations and Pulay stress →FAQ: Why is my energy vs. volume plot jagged: PREC= ACCURATE instead of High recommended. Improved language. Tag: Visual edit
- 13:5913:59, 21 January 2022 diff hist −145 Energy vs volume Volume relaxations and Pulay stress Improved wording, grammer and language
19 January 2022
- 09:3409:34, 19 January 2022 diff hist +26 PRECFOCK No edit summary Tag: Visual edit: Switched
12 January 2022
- 16:4916:49, 12 January 2022 diff hist +79 LTRIPLET No edit summary
- 07:1307:13, 12 January 2022 diff hist +100 LTRIPLET Small corrections, and comment on LTRIPLET added for spin orbit coupling.
11 January 2022
- 14:5814:58, 11 January 2022 diff hist −70 LTRIPLET No edit summary
- 14:5014:50, 11 January 2022 diff hist +1,469 LTRIPLET Extended
- 11:5111:51, 11 January 2022 diff hist +1 ML MCONF NEW →Related Tags and Sections
13 December 2021
- 09:3109:31, 13 December 2021 diff hist +57 m POTCAR No edit summary Tag: Visual edit
- 09:3009:30, 13 December 2021 diff hist +250 POTCAR Comment on modification of LEXCH Tag: Visual edit
1 December 2021
- 14:1714:17, 1 December 2021 diff hist +122 m NBLOCK No edit summary Tag: Visual edit
- 08:4108:41, 1 December 2021 diff hist +141 NBLOCK ML recommendation to set NBLOCK to 10 Tag: Visual edit
23 November 2021
- 17:2417:24, 23 November 2021 diff hist +13 m NCORE No edit summary Tag: Visual edit
- 11:5111:51, 23 November 2021 diff hist +24 m ML CX No edit summary Tag: Visual edit
- 11:5011:50, 23 November 2021 diff hist +368 ML CX Suggestions for constant temperature training added. Tag: Visual edit
17 November 2021
- 16:0616:06, 17 November 2021 diff hist +9 ML MHIS No edit summary
12 November 2021
- 09:4609:46, 12 November 2021 diff hist +113 ENCUTGWSOFT No edit summary
10 November 2021
- 11:2411:24, 10 November 2021 diff hist −35 m ALGO No edit summary
- 11:2311:23, 10 November 2021 diff hist −1 ALGO No edit summary
- 11:2311:23, 10 November 2021 diff hist −1 ALGO No edit summary
- 11:2211:22, 10 November 2021 diff hist +1 ALGO →Related Tags and Sections
- 11:2211:22, 10 November 2021 diff hist +62 ALGO No edit summary
- 11:2111:21, 10 November 2021 diff hist +23 ALGO No edit summary
- 11:2011:20, 10 November 2021 diff hist +56 ALGO No edit summary
- 11:1911:19, 10 November 2021 diff hist −2 IALGO No edit summary
- 11:1611:16, 10 November 2021 diff hist −2 m ALGO No edit summary
- 11:1411:14, 10 November 2021 diff hist +2 m LDIAG No edit summary
- 08:1608:16, 10 November 2021 diff hist −1 ALGO No edit summary
- 08:1608:16, 10 November 2021 diff hist +306 ALGO No edit summary
- 08:1108:11, 10 November 2021 diff hist +14 ISMEAR No edit summary Tag: Visual edit: Switched
- 08:0908:09, 10 November 2021 diff hist +713 ISMEAR No edit summary
- 08:0008:00, 10 November 2021 diff hist +2 IALGO →Direct optimization
- 08:0008:00, 10 November 2021 diff hist +2 IALGO →RMM-DIIS
- 07:5807:58, 10 November 2021 diff hist +61 IALGO →Conjugate gradient algorithms
- 07:5407:54, 10 November 2021 diff hist −2 IALGO →Direct optimization
- 07:5407:54, 10 November 2021 diff hist +165 IALGO →Direct optimization
- 07:5007:50, 10 November 2021 diff hist +1 IALGO →RMM-DIIS
- 07:5007:50, 10 November 2021 diff hist +162 IALGO →RMM-DIIS
- 07:4607:46, 10 November 2021 diff hist +171 IALGO No edit summary Tag: Visual edit: Switched
- 07:3907:39, 10 November 2021 diff hist +2 LDIAG No edit summary Tag: Visual edit
- 07:2907:29, 10 November 2021 diff hist −17 LDIAG No edit summary Tag: Visual edit
- 07:2207:22, 10 November 2021 diff hist +295 LDIAG No edit summary Tag: Visual edit
- 07:1607:16, 10 November 2021 diff hist +70 LDIAG Added more extensive explanation Tag: Visual edit
- 07:1107:11, 10 November 2021 diff hist +72 LDIAG No edit summary
- 07:1007:10, 10 November 2021 diff hist +391 LDIAG No edit summary
- 07:0207:02, 10 November 2021 diff hist +1,067 LDIAG No edit summary
- 06:4306:43, 10 November 2021 diff hist +337 LDIAG No edit summary
8 November 2021
- 09:3609:36, 8 November 2021 diff hist +16 IALGO →Related Tags and Sections
5 November 2021
- 07:3207:32, 5 November 2021 diff hist +35 ML RCUT2 →Related Tags and Sections
- 07:3207:32, 5 November 2021 diff hist 0 ML RCUT1 →Related Tags and Sections
- 07:3107:31, 5 November 2021 diff hist +34 ML RCUT1 →Related Tags and Sections
4 November 2021
- 11:3611:36, 4 November 2021 diff hist +305 ML CX No edit summary Tag: Visual edit
- 11:3311:33, 4 November 2021 diff hist +100 ML CX No edit summary Tag: Visual edit
- 11:3011:30, 4 November 2021 diff hist −144 ML CX No edit summary Tag: Visual edit
3 November 2021
- 17:0417:04, 3 November 2021 diff hist +6 m NATURALO No edit summary Tag: Visual edit
- 17:0317:03, 3 November 2021 diff hist +85 NATURALO NATURALO = 1 updated. Works properly for partial occupancies. Tag: Visual edit
18 October 2021
- 07:1207:12, 18 October 2021 diff hist +24 Band decomposed charge densities No edit summary
- 07:1107:11, 18 October 2021 diff hist +775 Band decomposed charge densities comment on spin polarized calculations added Tag: Visual edit
23 August 2021
- 11:2511:25, 23 August 2021 diff hist +421 IBRION →{{TAG|IBRION}}=7 and 8: second derivatives, Hessian matrix, and phonon frequencies (perturbation theory).
- 11:1311:13, 23 August 2021 diff hist +22 IBRION →{{TAG|IBRION}}=7 and 8: second derivatives, Hessian matrix, and phonon frequencies (perturbation theory).
- 11:1111:11, 23 August 2021 diff hist +3 IBRION →{{TAG|IBRION}}=7 and 8: second derivatives, Hessian matrix, and phonon frequencies (perturbation theory).
- 11:0911:09, 23 August 2021 diff hist +2,662 IBRION →{{TAG|IBRION}}=7 and 8: second derivatives, Hessian matrix, and phonon frequencies (perturbation theory).
16 June 2021
- 08:5908:59, 16 June 2021 diff hist +10 LUSE VDW →Related Tags and Sections
- 08:4008:40, 16 June 2021 diff hist +106 IVDW No edit summary Tag: Visual edit: Switched
- 08:3808:38, 16 June 2021 diff hist +160 LUSE VDW No edit summary Tag: Visual edit
- 08:3408:34, 16 June 2021 diff hist +189 LUSE VDW No edit summary Tag: Visual edit
- 08:3108:31, 16 June 2021 diff hist −4 LUSE VDW No edit summary Tag: Visual edit: Switched
- 08:3008:30, 16 June 2021 diff hist −1 LUSE VDW No edit summary Tag: Visual edit
- 08:2808:28, 16 June 2021 diff hist +114 LUSE VDW rVV10 added Tag: Visual edit
- 08:2408:24, 16 June 2021 diff hist +33 LUSE VDW No edit summary Tag: Visual edit: Switched
- 08:2108:21, 16 June 2021 diff hist +18 IVDW →Related Tags and Sections
7 June 2021
- 12:5312:53, 7 June 2021 diff hist +139 m EDIFF No edit summary Tag: Visual edit
- 08:3908:39, 7 June 2021 diff hist +17 EDIFF No edit summary
- 08:3908:39, 7 June 2021 diff hist +20 m EDIFF No edit summary Tag: Visual edit
18 May 2021
- 11:5611:56, 18 May 2021 diff hist +38 m ACFDT/RPA calculations No edit summary Tag: Visual edit
- 11:5411:54, 18 May 2021 diff hist 0 m ACFDT/RPA calculations →Recipe to Calculate ACFDT-RPA Total Energies in VASP.6 Tag: Visual edit
- 11:5411:54, 18 May 2021 diff hist +187 ACFDT/RPA calculations →Recipe to Calculate ACFDT-RPA Total Energies in VASP.6 Tag: Visual edit
- 07:0507:05, 18 May 2021 diff hist +27 ACFDT/RPA calculations →Recipe to Calculate ACFDT-RPA Total Energies in VASP.6 Tag: Visual edit
- 07:0507:05, 18 May 2021 diff hist +87 ACFDT/RPA calculations →Recipe to Calculate ACFDT-RPA Total Energies in VASP.6 Tag: Visual edit
- 07:0407:04, 18 May 2021 diff hist +220 m ACFDT/RPA calculations No edit summary Tag: Visual edit
- 06:5706:57, 18 May 2021 diff hist +484 ACFDT/RPA calculations Caveats of the vasp.6 approach explained (does not work for any range separated functional). Tag: Visual edit
- 06:3206:32, 18 May 2021 diff hist −7 m ACFDT/RPA calculations →Recipe to Calculate ACFDT-RPA Total Energies in VASP.6 Tag: Visual edit
- 06:3106:31, 18 May 2021 diff hist +265 m ACFDT/RPA calculations Recipe to Calculate ACFDT-RPA Total Energies in VASP.5 Tag: Visual edit
- 06:2406:24, 18 May 2021 diff hist +870 ACFDT/RPA calculations No edit summary
- 06:1206:12, 18 May 2021 diff hist +20 m ACFDT/RPA calculations →General Recipe to Calculate ACFDT-RPA Total Energies
- 06:1106:11, 18 May 2021 diff hist +1,118 ACFDT/RPA calculations More detailed explanation how to select the new all in one mode (as well as its caveats). Discussion how to select the old vasp.5, step-by-step behavior. Tag: Visual edit
17 May 2021
- 18:1118:11, 17 May 2021 diff hist −7 m LMODELHF No edit summary Tag: Visual edit
11 May 2021
- 11:5811:58, 11 May 2021 diff hist +27 m ML ICRITERIA No edit summary Tag: Visual edit
27 April 2021
- 06:5806:58, 27 April 2021 diff hist +4 HFRCUT No edit summary Tag: Visual edit
- 06:5706:57, 27 April 2021 diff hist +17 HFRCUT →Related Tags and Sections
- 06:5506:55, 27 April 2021 diff hist +6 m HFRCUT No edit summary Tag: Visual edit
- 06:5106:51, 27 April 2021 diff hist +19 m HFALPHA No edit summary Tag: Visual edit
- 06:4706:47, 27 April 2021 diff hist +105 m HFRCUT No edit summary Tag: Visual edit
- 06:4006:40, 27 April 2021 diff hist +788 N HFALPHA Created page with "{{TAGDEF|HFALPHA|[real]|-1}} Description: {{TAG|HFALPHA}} specifies how the Coulomb kernel is approximated at G=0 when the Fock energy and the exchange potential are evaluate..."
- 06:3006:30, 27 April 2021 diff hist +9 HFRCUT No edit summary
- 06:2906:29, 27 April 2021 diff hist +9 HFRCUT No edit summary
- 06:2806:28, 27 April 2021 diff hist +1 HFRCUT No edit summary
- 06:2806:28, 27 April 2021 diff hist +95 HFRCUT No edit summary
- 06:2606:26, 27 April 2021 diff hist +2,240 HFRCUT Major rewrite with explanation of the unterlying methods. Tag: Visual edit
26 April 2021
- 09:1709:17, 26 April 2021 diff hist +281 m HFRCUT No edit summary Tag: Visual edit
16 April 2021
- 10:5310:53, 16 April 2021 diff hist +4 m ML CX No edit summary Tag: Visual edit
- 10:5110:51, 16 April 2021 diff hist +56 m ML ICRITERIA No edit summary Tag: Visual edit
- 08:5008:50, 16 April 2021 diff hist +121 ML CX No edit summary Tag: Visual edit
- 08:3808:38, 16 April 2021 diff hist +80 ML CTIFOR No edit summary Tag: Visual edit
- 08:3608:36, 16 April 2021 diff hist −22 m ML ICRITERIA →Related Tags and Sections Tag: Visual edit
- 08:3508:35, 16 April 2021 diff hist −1 m ML CX No edit summary Tag: Visual edit
- 08:3408:34, 16 April 2021 diff hist +1,114 N ML CX Created page with "{{TAGDEF|ML_FF_XMIX|[integer]|0.5}} Description: The parameter determines how the threshold ({{TAG|ML_FF_CTIFOR}}) is updated in the machine learning force field methods. -..."
- 08:2408:24, 16 April 2021 diff hist −2 m ML ICRITERIA No edit summary Tag: Visual edit
- 08:2408:24, 16 April 2021 diff hist +329 ML ICRITERIA XMIX added Tag: Visual edit
- 08:1708:17, 16 April 2021 diff hist +2 m ML CSLOPE No edit summary Tag: Visual edit
- 08:1508:15, 16 April 2021 diff hist +18 m ML ICRITERIA No edit summary Tag: Visual edit
- 08:1408:14, 16 April 2021 diff hist +285 ML MHIS No edit summary Tag: Visual edit
- 07:2007:20, 16 April 2021 diff hist −13 ML CSLOPE No edit summary Tag: Visual edit
- 07:1907:19, 16 April 2021 diff hist +335 ML CSLOPE Rewritten for clarity Tag: Visual edit
- 07:1607:16, 16 April 2021 diff hist +1 m ML CSIG No edit summary Tag: Visual edit
- 07:1507:15, 16 April 2021 diff hist +168 ML ICRITERIA Further updates reference ML_FF_SLOPE added Tag: Visual edit
- 07:1107:11, 16 April 2021 diff hist +131 ML CSIG No edit summary Tag: Visual edit
- 07:0507:05, 16 April 2021 diff hist +470 ML ICRITERIA Added more extensive description Tag: Visual edit
- 07:0007:00, 16 April 2021 diff hist +22 ML ICRITERIA →Related Tags and Sections
- 07:0007:00, 16 April 2021 diff hist +73 ML ICRITERIA Rewritten for clarity Tag: Visual edit
14 April 2021
- 17:1117:11, 14 April 2021 diff hist +20 ML CSIG →Related Tags and Sections
- 17:1017:10, 14 April 2021 diff hist +20 ML CSLOPE →Related Tags and Sections
- 17:1017:10, 14 April 2021 diff hist −1 ML ICRITERIA →Related Tags and Sections
- 17:0917:09, 14 April 2021 diff hist +21 ML ICRITERIA →Related Tags and Sections Tag: Visual edit
26 March 2021
- 06:5206:52, 26 March 2021 diff hist +86 m PRECFOCK Updated description of Single Tag: Visual edit
- 06:5006:50, 26 March 2021 diff hist +126 PREC Added description of SingleN Tag: Visual edit
- 06:4606:46, 26 March 2021 diff hist +649 PRECFOCK Added description of Single and changed order in table Tag: Visual edit
16 February 2021
- 09:2909:29, 16 February 2021 diff hist −12 m LMODELHF No edit summary Tag: Visual edit
15 February 2021
- 18:2418:24, 15 February 2021 diff hist +20 m Available PAW potentials ENMAX linked to wiki Tag: Visual edit
- 18:1918:19, 15 February 2021 diff hist −2 Available PAW potentials Checked and updated GW table. Tag: Visual edit
- 17:5817:58, 15 February 2021 diff hist +17 m Available PAW potentials No edit summary Tag: Visual edit
- 17:5517:55, 15 February 2021 diff hist +1,720 Available PAW potentials Further small updates in text. Tag: Visual edit
- 17:2317:23, 15 February 2021 diff hist −199 Available PAW potentials Update of ENMAX, removal of POTCAR files that have been removed, and changed defaults (W_pv -> W_sv) Tag: Visual edit
- 16:4016:40, 15 February 2021 diff hist +831 Available PAW potentials →Recommended potentials for DFT calculations Tag: Visual edit
29 January 2021
- 10:5710:57, 29 January 2021 diff hist +49 Bethe-Salpeter-equations calculations No edit summary
- 10:2810:28, 29 January 2021 diff hist +1 OMEGAMAX No edit summary
- 10:2210:22, 29 January 2021 diff hist 0 OMEGAMAX No edit summary
- 10:2110:21, 29 January 2021 diff hist +1 OMEGAMAX No edit summary
- 10:2110:21, 29 January 2021 diff hist +31 OMEGAMAX No edit summary
- 10:2010:20, 29 January 2021 diff hist +1 OMEGAMAX No edit summary
- 10:2010:20, 29 January 2021 diff hist +879 OMEGAMAX No edit summary
- 10:1110:11, 29 January 2021 diff hist +273 OMEGAMAX No edit summary
- 10:0910:09, 29 January 2021 diff hist +18 Bethe-Salpeter-equations calculations →Related Tags and Sections
- 10:0810:08, 29 January 2021 diff hist +682 Bethe-Salpeter-equations calculations No edit summary
- 09:4009:40, 29 January 2021 diff hist +159 Bethe-Salpeter-equations calculations No edit summary
20 January 2021
- 15:5415:54, 20 January 2021 diff hist +200 LVTOT No edit summary
- 15:5215:52, 20 January 2021 diff hist +26 LVHAR No edit summary
- 15:5015:50, 20 January 2021 diff hist −81 LOCPOT No edit summary
- 15:4815:48, 20 January 2021 diff hist +152 LOCPOT No edit summary
- 15:4615:46, 20 January 2021 diff hist −378 LOCPOT No edit summary
22 December 2020
- 11:3511:35, 22 December 2020 diff hist +624 ALGO No edit summary
17 December 2020
- 15:4215:42, 17 December 2020 diff hist +15 INCAR No edit summary
- 15:4115:41, 17 December 2020 diff hist −25 INCAR No edit summary
- 15:3815:38, 17 December 2020 diff hist +497 INCAR No edit summary
- 15:3115:31, 17 December 2020 diff hist +5 INCAR No edit summary
15 December 2020
- 06:4506:45, 15 December 2020 diff hist +1 IALGO →RMM-DIIS
- 06:4506:45, 15 December 2020 diff hist +57 IALGO →RMM-DIIS
- 06:4406:44, 15 December 2020 diff hist +74 ALGO No edit summary
12 November 2020
- 10:4610:46, 12 November 2020 diff hist +17 ML MRB2 No edit summary
- 10:4210:42, 12 November 2020 diff hist +140 ML MRB2 No edit summary
11 November 2020
- 10:3710:37, 11 November 2020 diff hist +27 ML WTOTEN No edit summary
- 08:3608:36, 11 November 2020 diff hist +31 LREAL No edit summary
- 08:3408:34, 11 November 2020 diff hist +14 LREAL No edit summary
- 08:3208:32, 11 November 2020 diff hist +1 LREAL No edit summary
- 08:3108:31, 11 November 2020 diff hist −1 LREAL No edit summary
- 08:3008:30, 11 November 2020 diff hist +6 ROPT No edit summary
- 08:2608:26, 11 November 2020 diff hist +5 ROPT No edit summary
- 08:2508:25, 11 November 2020 diff hist +24 ROPT No edit summary
10 November 2020
- 10:0010:00, 10 November 2020 diff hist −18 ROPT No edit summary
- 09:5909:59, 10 November 2020 diff hist −21 ROPT No edit summary
- 09:5809:58, 10 November 2020 diff hist +271 ROPT No edit summary
- 09:5709:57, 10 November 2020 diff hist +371 ROPT No edit summary
- 09:5609:56, 10 November 2020 diff hist 0 ROPT No edit summary
- 09:5509:55, 10 November 2020 diff hist +87 ROPT No edit summary
- 09:5209:52, 10 November 2020 diff hist +71 LREAL Update to reflect current behavior of vasp.5 and vasp.6 (page was outdated)
- 09:3509:35, 10 November 2020 diff hist +24 LREAL No edit summary
- 09:3009:30, 10 November 2020 diff hist 0 ROPT No edit summary
- 09:2809:28, 10 November 2020 diff hist +42 LREAL No edit summary
- 09:2409:24, 10 November 2020 diff hist +290 ROPT No edit summary
- 08:4308:43, 10 November 2020 diff hist +265 ROPT No edit summary
- 08:3808:38, 10 November 2020 diff hist −64 ROPT No edit summary
- 08:3408:34, 10 November 2020 diff hist +7 ROPT No edit summary
- 08:3308:33, 10 November 2020 diff hist +57 ROPT No edit summary
6 November 2020
- 06:4206:42, 6 November 2020 diff hist +7 NATURALO No edit summary
- 06:3806:38, 6 November 2020 diff hist +2 NATURALO No edit summary
- 06:3706:37, 6 November 2020 diff hist +3 NATURALO No edit summary
5 November 2020
- 10:0710:07, 5 November 2020 diff hist +3 NATURALO No edit summary
- 10:0510:05, 5 November 2020 diff hist +27 NATURALO No edit summary
4 November 2020
- 16:0916:09, 4 November 2020 diff hist +295 NATURALO No edit summary
- 16:0116:01, 4 November 2020 diff hist +215 NATURALO No edit summary
- 15:5415:54, 4 November 2020 diff hist +150 NATURALO No edit summary
- 15:5015:50, 4 November 2020 diff hist −3 NATURALO No edit summary
- 15:4815:48, 4 November 2020 diff hist +164 NATURALO No edit summary
- 15:4015:40, 4 November 2020 diff hist +993 NATURALO No edit summary
- 15:0315:03, 4 November 2020 diff hist +152 NATURALO No edit summary
- 15:0015:00, 4 November 2020 diff hist −88 NATURALO No edit summary
- 10:0310:03, 4 November 2020 diff hist +390 NATURALO No edit summary
- 09:4309:43, 4 November 2020 diff hist +3 NATURALO No edit summary
- 09:4109:41, 4 November 2020 diff hist −10 NATURALO No edit summary
- 09:1009:10, 4 November 2020 diff hist +73 NATURALO No edit summary
- 08:5008:50, 4 November 2020 diff hist +2,327 NATURALO No edit summary
- 08:3308:33, 4 November 2020 diff hist +1 NATURALO No edit summary
- 08:3208:32, 4 November 2020 diff hist +6 NATURALO No edit summary
- 08:2708:27, 4 November 2020 diff hist +281 N NATURALO Created page with "{{TAGDEF|NATURALO|[integer]|.FALSE.}} Description: allows to calculate RPA natural orbitals. ---- == Related Tags and Sections == * {{TAG|ALGO}} for response functions and..."
3 November 2020
- 08:1608:16, 3 November 2020 diff hist +26 Not enough memory No edit summary
- 08:1308:13, 3 November 2020 diff hist +463 Not enough memory No edit summary
- 08:0908:09, 3 November 2020 diff hist +652 Not enough memory No edit summary
2 November 2020
- 17:4617:46, 2 November 2020 diff hist 0 Not enough memory No edit summary
- 17:4617:46, 2 November 2020 diff hist 0 Not enough memory No edit summary
- 17:4517:45, 2 November 2020 diff hist +84 Not enough memory No edit summary
- 17:4317:43, 2 November 2020 diff hist −63 Not enough memory No edit summary
- 17:3217:32, 2 November 2020 diff hist −948 Not enough memory No edit summary
14 October 2020
- 15:0315:03, 14 October 2020 diff hist +11 Category:Common Pitfalls No edit summary
- 15:0215:02, 14 October 2020 diff hist +30 Category:Common Pitfalls No edit summary
- 15:0115:01, 14 October 2020 diff hist +2,965 N Performance issues, try NCORE, KPAR, ALGO, LREAL Created page with "Many user have difficulties to make good choices for various computational and technical parameters, resulting in suboptimal performance. Here is a very brief outline which ta..."
- 15:0115:01, 14 October 2020 diff hist +11 Category:Common Pitfalls No edit summary
- 13:2913:29, 14 October 2020 diff hist +48 Category:Common Pitfalls No edit summary
- 13:1713:17, 14 October 2020 diff hist +13 NCORE No edit summary
- 12:3712:37, 14 October 2020 diff hist +6 NCORE No edit summary
- 12:3412:34, 14 October 2020 diff hist +19 NCORE No edit summary
- 12:2512:25, 14 October 2020 diff hist +24 NCORE No edit summary
- 12:1712:17, 14 October 2020 diff hist −22 NCORE No edit summary
- 12:0912:09, 14 October 2020 diff hist +258 NCORE No edit summary
- 11:2911:29, 14 October 2020 diff hist +74 Be careful with the default smearing method (ISMEAR=1) No edit summary
- 11:2811:28, 14 October 2020 diff hist +471 Be careful with the default smearing method (ISMEAR=1) No edit summary
- 11:2111:21, 14 October 2020 diff hist +84 N Be careful with the default smearing method (ISMEAR=1) Created page with "The default for {{TAG|ISMEAR}} is 2 in VASP. ---- Category:Calculational issues"
- 11:2011:20, 14 October 2020 diff hist +11 Category:Common Pitfalls No edit summary
- 11:1911:19, 14 October 2020 diff hist +43 Category:Common Pitfalls No edit summary
- 11:1711:17, 14 October 2020 diff hist +129 Number of bands NBANDS No edit summary
5 October 2020
- 08:1708:17, 5 October 2020 diff hist +90 ML CTIFOR No edit summary
- 08:1308:13, 5 October 2020 diff hist +27 ML CTIFOR No edit summary
- 07:4107:41, 5 October 2020 diff hist +1 ML CTIFOR No edit summary
- 07:4007:40, 5 October 2020 diff hist +4 ML CTIFOR No edit summary
- 07:4007:40, 5 October 2020 diff hist 0 ML CDOUB No edit summary
- 07:3907:39, 5 October 2020 diff hist −23 ML CDOUB No edit summary
- 07:3907:39, 5 October 2020 diff hist −7 ML CDOUB No edit summary
- 07:3807:38, 5 October 2020 diff hist −1 ML CDOUB No edit summary
- 07:3807:38, 5 October 2020 diff hist +2 ML CDOUB No edit summary
- 07:3707:37, 5 October 2020 diff hist +26 ML CDOUB No edit summary
- 07:3307:33, 5 October 2020 diff hist +24 ML CTIFOR →Related Tags and Sections
- 07:3107:31, 5 October 2020 diff hist −8 ML CTIFOR No edit summary
- 07:2907:29, 5 October 2020 diff hist +67 ML CTIFOR No edit summary
- 07:0407:04, 5 October 2020 diff hist −2 ML CTIFOR No edit summary
- 07:0207:02, 5 October 2020 diff hist +116 ML CTIFOR No edit summary
2 October 2020
- 06:3506:35, 2 October 2020 diff hist +154 ML IWEIGHT No edit summary
- 06:3006:30, 2 October 2020 diff hist 0 ML IWEIGHT No edit summary
- 06:3006:30, 2 October 2020 diff hist +71 ML IWEIGHT No edit summary
- 06:2906:29, 2 October 2020 diff hist +6 ML IWEIGHT No edit summary
- 06:2806:28, 2 October 2020 diff hist +2 ML IWEIGHT No edit summary
- 06:2806:28, 2 October 2020 diff hist +25 ML IWEIGHT No edit summary
- 06:0206:02, 2 October 2020 diff hist +453 ML IWEIGHT No edit summary
- 05:5305:53, 2 October 2020 diff hist +2 ML IWEIGHT No edit summary
- 05:5205:52, 2 October 2020 diff hist +325 ML IWEIGHT No edit summary
- 05:4805:48, 2 October 2020 diff hist +95 ML IWEIGHT No edit summary
30 September 2020
- 09:2509:25, 30 September 2020 diff hist +534 PRECFOCK No edit summary
- 08:5508:55, 30 September 2020 diff hist +1,618 PRECFOCK No edit summary
1 September 2020
- 16:1816:18, 1 September 2020 diff hist +340 ML EPS LOW No edit summary
20 August 2020
- 14:1114:11, 20 August 2020 diff hist +1,769 Validation tests No edit summary
- 08:2108:21, 20 August 2020 diff hist +875 Validation tests No edit summary
18 August 2020
- 07:0207:02, 18 August 2020 diff hist −2 ADDGRID No edit summary
- 07:0207:02, 18 August 2020 diff hist +171 ADDGRID No edit summary
- 06:5706:57, 18 August 2020 diff hist +977 ADDGRID No edit summary
12 May 2020
- 06:3006:30, 12 May 2020 diff hist +34 LASPH No edit summary
8 May 2020
- 11:5011:50, 8 May 2020 diff hist 0 LMODELHF No edit summary
- 11:4711:47, 8 May 2020 diff hist +737 LMODELHF No edit summary
- 09:4809:48, 8 May 2020 diff hist +54 LMODELHF No edit summary
- 09:4709:47, 8 May 2020 diff hist +637 LMODELHF No edit summary
- 09:2909:29, 8 May 2020 diff hist +18 LMODELHF No edit summary
- 09:2609:26, 8 May 2020 diff hist +204 LMODELHF No edit summary
- 09:1809:18, 8 May 2020 diff hist +1,541 LMODELHF No edit summary
- 08:4908:49, 8 May 2020 diff hist +24 LMODELHF No edit summary
- 08:4808:48, 8 May 2020 diff hist +212 LMODELHF No edit summary
- 08:1708:17, 8 May 2020 diff hist −37 LMODELHF No edit summary
- 08:1608:16, 8 May 2020 diff hist +1,604 N LMODELHF Created page with "{{TAGDEF|LMODELHF|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: {{TAG|LMODELHF}} selects a decomposition of the exchange functional based on a range separated screening, with f..."
30 April 2020
- 06:5606:56, 30 April 2020 diff hist +462 ISMEAR No edit summary
20 April 2020
- 06:5306:53, 20 April 2020 diff hist +101 The VASP Manual No edit summary
16 April 2020
- 12:0512:05, 16 April 2020 diff hist +102 VCA No edit summary
- 12:0312:03, 16 April 2020 diff hist +89 VCA No edit summary
- 11:4211:42, 16 April 2020 diff hist +832 VCA No edit summary
- 11:2811:28, 16 April 2020 diff hist +310 VCA No edit summary
- 11:2011:20, 16 April 2020 diff hist +367 VCA No edit summary
- 11:1311:13, 16 April 2020 diff hist +110 VCA No edit summary
- 11:1111:11, 16 April 2020 diff hist +1,326 N VCA Created page with "{{TAGDEF|VCA|[real array]|read from the {{TAG|POTCAR}} file}} Description: {{TAG|VCA}} is short for the virtual crystal approximation; the tag allows to "weight" each species..."
31 March 2020
- 07:1607:16, 31 March 2020 diff hist +117 VCAIMAGES No edit summary
- 07:0007:00, 31 March 2020 diff hist +9 VCAIMAGES →Related Tags and Sections
- 07:0007:00, 31 March 2020 diff hist +1 VCAIMAGES →Related Tags and Sections
- 06:5906:59, 31 March 2020 diff hist +188 NCORE IN IMAGE1 No edit summary
- 06:5706:57, 31 March 2020 diff hist +714 VCAIMAGES No edit summary
- 06:2506:25, 31 March 2020 diff hist +1,449 VCAIMAGES No edit summary
12 August 2019
- 12:3612:36, 12 August 2019 diff hist +61 IALGO →Direct optimization
- 12:3412:34, 12 August 2019 diff hist +1,279 LSUBROT No edit summary
- 12:2312:23, 12 August 2019 diff hist +326 LSUBROT No edit summary
- 12:2012:20, 12 August 2019 diff hist −4 LSUBROT No edit summary
- 12:2012:20, 12 August 2019 diff hist +203 N LSUBROT Created page with "{TAGDEF|LSUBROT|.FALSE. {{!}} .TRUE. {{!}} {{DEF|SUBROT|.FALSE.|}} Description: {{TAG|LSUBROT}} determines whether an optimal rotation matrix between the occupied and unoccu..."
- 12:1512:15, 12 August 2019 diff hist +486 IALGO →Direct optimization: NELMDL documentation and cross reference
- 12:0312:03, 12 August 2019 diff hist +202 NELMDL No edit summary
- 11:5311:53, 12 August 2019 diff hist +1,859 NELMDL No edit summary
25 July 2019
- 14:3714:37, 25 July 2019 diff hist +78 Construction:Wiki style guide No edit summary
- 14:3414:34, 25 July 2019 diff hist +427 N Construction:Wiki style guide Created page with "This page is under construction * IMPLICIT NONE and INDENT(IN) and INTENT(OUT) must be used * When updating and working on existing routines follow exactly the style of ex..."
- 13:1913:19, 25 July 2019 diff hist +11 The VASP Manual No edit summary
2 April 2019
- 13:2213:22, 2 April 2019 diff hist −1 GGA moved RE upwards
25 February 2019
- 18:1218:12, 25 February 2019 diff hist +37 LFOCKAEDFT No edit summary
25 January 2019
- 16:4416:44, 25 January 2019 diff hist −136 PREC No edit summary
- 16:4216:42, 25 January 2019 diff hist +291 PREC No edit summary
- 16:3916:39, 25 January 2019 diff hist +31 PREC No edit summary
- 16:3616:36, 25 January 2019 diff hist +349 PREC No edit summary
- 16:1716:17, 25 January 2019 diff hist +568 PREC Update of PREC = Single to reflect vasp.6 behaviour
18 December 2018
- 16:5416:54, 18 December 2018 diff hist +75 KBLOCK No edit summary
- 16:5316:53, 18 December 2018 diff hist +6 NBLOCK No edit summary
- 16:5216:52, 18 December 2018 diff hist +51 NBLOCK No edit summary
- 16:5216:52, 18 December 2018 diff hist +246 NBLOCK No edit summary
- 16:5016:50, 18 December 2018 diff hist +1 KBLOCK No edit summary
25 June 2018
- 16:0516:05, 25 June 2018 diff hist +7 LDAUTYPE No edit summary
- 15:5615:56, 25 June 2018 diff hist +182 LDAUTYPE No edit summary
- 15:4315:43, 25 June 2018 diff hist +39 LDAUTYPE No edit summary
- 15:4115:41, 25 June 2018 diff hist +89 LDAUTYPE No edit summary
- 15:2415:24, 25 June 2018 diff hist +311 LDAUTYPE No edit summary
8 May 2018
- 09:5509:55, 8 May 2018 diff hist +66 VOSKOWN No edit summary
3 May 2018
- 16:1316:13, 3 May 2018 diff hist +204 VOSKOWN No edit summary
- 15:5115:51, 3 May 2018 diff hist +303 VOSKOWN No edit summary
6 April 2018
- 13:5313:53, 6 April 2018 diff hist +4 DFT-D3 No edit summary
29 March 2018
- 13:0213:02, 29 March 2018 diff hist +15 Time Evolution No edit summary
- 12:5912:59, 29 March 2018 diff hist −35 LOPTICS No edit summary
- 12:5812:58, 29 March 2018 diff hist −6 LOPTICS →Related Tags and Sections
- 12:5812:58, 29 March 2018 diff hist −1 LOPTICS No edit summary
- 12:5712:57, 29 March 2018 diff hist +16 LOPTICS →Related Tags and Sections
- 12:5612:56, 29 March 2018 diff hist 0 Bethe-Salpeter-equations calculations →Related Tags and Sections
- 12:5512:55, 29 March 2018 diff hist −2 Bethe-Salpeter-equations calculations →Related Tags and Sections
- 12:5512:55, 29 March 2018 diff hist +1 Bethe-Salpeter-equations calculations →Related Tags and Sections
- 12:5512:55, 29 March 2018 diff hist +31 Bethe-Salpeter-equations calculations →Related Tags and Sections
- 12:5412:54, 29 March 2018 diff hist +59 Time Evolution No edit summary
28 March 2018
- 13:4813:48, 28 March 2018 diff hist −35 Time Evolution No edit summary
- 13:4413:44, 28 March 2018 diff hist +18 Time Evolution No edit summary
- 13:4313:43, 28 March 2018 diff hist +92 ALGO No edit summary
- 13:4113:41, 28 March 2018 diff hist +25 NBANDSO No edit summary
- 13:3913:39, 28 March 2018 diff hist +17 NBANDSV →Related Tags and Sections
- 13:3813:38, 28 March 2018 diff hist +104 NBANDSV No edit summary
- 13:3613:36, 28 March 2018 diff hist +129 NBANDSO No edit summary
- 13:3413:34, 28 March 2018 diff hist +35 NBANDSV No edit summary
- 13:2913:29, 28 March 2018 diff hist +1,106 Time Evolution No edit summary
- 13:1013:10, 28 March 2018 diff hist +89 Time Evolution No edit summary
- 13:0813:08, 28 March 2018 diff hist +383 Time Evolution No edit summary
- 13:0113:01, 28 March 2018 diff hist +525 N IEPSILON Created page with "{{TAGDEF|IEPSILON|1 {{!}} 2 {{!}} 3 {{!}} 4} Description: The flag {{TAG|IEPSILON}} determines along which Cartesien the E field is applies. ---- *{{TAG|IEPSILON}}=1 x dire..."
- 12:5812:58, 28 March 2018 diff hist +1 Time Evolution No edit summary
- 12:5812:58, 28 March 2018 diff hist +1,989 Time Evolution No edit summary
- 11:3411:34, 28 March 2018 diff hist −6 Time Evolution No edit summary
- 11:3211:32, 28 March 2018 diff hist +81 Time Evolution No edit summary
- 11:3011:30, 28 March 2018 diff hist +267 Time Evolution →References
- 11:2711:27, 28 March 2018 diff hist +17 Time Evolution No edit summary
- 11:2611:26, 28 March 2018 diff hist +526 Time Evolution No edit summary
- 11:1811:18, 28 March 2018 diff hist +22 Time Evolution →Related Tags and Sections
- 11:1811:18, 28 March 2018 diff hist +67 Time Evolution →Related Tags and Sections
- 11:1611:16, 28 March 2018 diff hist +955 N Time Evolution Created page with " Description: {{TAG|ALGO}}= timeev calculates the frequency dependent dielectric matrix after the electronic ground state has been determined using the time evolution algorith..."
- 11:1311:13, 28 March 2018 diff hist +41 LOPTICS No edit summary
- 11:1011:10, 28 March 2018 diff hist +57 Bethe-Salpeter-equations calculations →Consistency checks
- 11:0711:07, 28 March 2018 diff hist −9 Bethe-Salpeter-equations calculations →Calculations beyond Tamm Dancoff approximation
- 11:0611:06, 28 March 2018 diff hist +128 Bethe-Salpeter-equations calculations →Bethe Salpeter and Casida equations: a first look
- 10:5910:59, 28 March 2018 diff hist +31 Bethe-Salpeter-equations calculations No edit summary
- 09:1709:17, 28 March 2018 diff hist +147 Bethe-Salpeter-equations calculations No edit summary
- 09:1509:15, 28 March 2018 diff hist +36 LOPTICS No edit summary
- 09:1109:11, 28 March 2018 diff hist +22 LOPTICS No edit summary
- 09:0909:09, 28 March 2018 diff hist +183 Bethe-Salpeter-equations calculations No edit summary
- 09:0409:04, 28 March 2018 diff hist +674 Bethe-Salpeter-equations calculations No edit summary
- 08:4708:47, 28 March 2018 diff hist +487 LOPTICS No edit summary
14 December 2017
- 17:5117:51, 14 December 2017 diff hist −167 LMONO No edit summary
- 12:5712:57, 14 December 2017 diff hist −596 LMONO No edit summary
- 12:4112:41, 14 December 2017 diff hist +263 LDIPOL Corrected the description of LDIPOL
- 12:3112:31, 14 December 2017 diff hist +455 Monopole Dipole and Quadrupole Corrections Corrected the description of LDIPOL and LMONO
18 September 2017
- 15:3315:33, 18 September 2017 diff hist −80 m DFT-D3 No edit summary
15 September 2017
- 16:1216:12, 15 September 2017 diff hist +25 LSPECTRALGW No edit summary
- 16:1016:10, 15 September 2017 diff hist +90 Practical guide to GW calculations →Related Tags and Sections
- 16:0916:09, 15 September 2017 diff hist +10 ENCUTGW No edit summary
- 16:0816:08, 15 September 2017 diff hist +5 ENCUTGW No edit summary
- 16:0716:07, 15 September 2017 diff hist +153 ENCUTGW No edit summary
- 15:5615:56, 15 September 2017 diff hist −2 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 15:5515:55, 15 September 2017 diff hist +111 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 15:5515:55, 15 September 2017 diff hist +1 ACFDT/RPA calculations →Some Issues Particular to ACFDT-RPA Calculations on Metals
- 15:5315:53, 15 September 2017 diff hist +13 ALGO No edit summary
- 15:5215:52, 15 September 2017 diff hist +19 ALGO No edit summary
- 15:5215:52, 15 September 2017 diff hist −6 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 15:5015:50, 15 September 2017 diff hist +226 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 15:4815:48, 15 September 2017 diff hist +8 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 15:4715:47, 15 September 2017 diff hist −12 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 15:4715:47, 15 September 2017 diff hist +248 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 15:4315:43, 15 September 2017 diff hist +89 ALGO →ALGO for response functions and GW calculations