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the poll
rules
latest edition
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functionals
list
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Marcel Swart
Matthias Bickelhaupt
Miquel Duran
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Average results for the 2010-2024 editions of the Annual DFT Popularity Poll

  functional like neutral hate #votes points average
1 PBE 1339 515 154 2450 4378 1.7869
2 PBE0 1118 519 146 2450 3727 1.5212
3 PBE-D 509 383 109 1445 1801 1.2464
4 B3LYP 871 707 490 2450 2830 1.1551
5 wB97X-D 723 437 144 2288 2462 1.0760
6 r2SCAN-3c 65 80 17 268 258 0.9627
7 PBEsol 324 419 107 1334 1284 0.9625
8 B3LYP-D 572 700 282 2288 2134 0.9327
9 LDA 648 589 504 2450 2029 0.8282
10 SCAN 321 432 123 1544 1272 0.8238
11 HSE 519 649 188 2450 2018 0.8237
12 CAM-B3LYP 491 725 219 2450 1979 0.8078
13 BP86 491 689 241 2450 1921 0.7841
14 B97-D 421 807 169 2450 1901 0.7759
15 PW91 411 794 201 2450 1826 0.7453
16 M06-2X 625 473 524 2450 1824 0.7445
17 wB97X-V 258 381 93 1445 1062 0.7349
18 r2SCAN-D4 146 228 53 849 613 0.7220
19 SCAN-rVV10 129 244 59 849 572 0.6737
20 revPBE 329 708 182 2288 1513 0.6613
21 wB97M-V 220 355 85 1445 930 0.6436
22 RPA 293 495 136 1975 1238 0.6268
23 TPSSh 342 679 192 2450 1513 0.6176
24 B2PLYP 363 655 248 2450 1496 0.6106
25 BLYP 321 702 374 2450 1291 0.5269
26 B97-3c 128 372 80 1334 676 0.5067
27 B3PW91 244 738 229 2450 1241 0.5065
28 M06 350 535 464 2288 1121 0.4899
29 OPBE 18 94 17 268 131 0.4888
30 B97M-V 125 414 87 1445 702 0.4858
31 LC-wPBE 253 599 175 2450 1183 0.4829
32 M06-L 350 550 470 2450 1130 0.4612
33 revTPSS-D 198 667 168 2450 1093 0.4461
34 optB88-vdW 145 481 134 1791 782 0.4366
35 revTPSS 188 678 181 2450 1061 0.4331
36 PWPB95-D3 203 520 145 2288 984 0.4301
37 RPBE 183 585 170 2288 964 0.4213
38 DM21 19 149 20 449 186 0.4143
39 revDSD-PBEP86-D4 10 50 13 166 67 0.4036
40 BEEF-vdW 86 330 102 1232 486 0.3945
41 B3LYPstar 101 188 142 906 349 0.3852
42 LC-PBE 139 573 169 2288 821 0.3588
43 OLYP 127 474 182 1899 673 0.3544
44 DSD-PBEP86 114 452 127 1975 667 0.3377
45 SSB-D 85 286 93 1348 448 0.3323
46 M05-2X 92 174 154 906 296 0.3267
47 PW6B95 116 551 154 2288 745 0.3256
48 BHandH 98 378 173 1601 499 0.3117
49 mPW1K 55 234 86 1005 313 0.3114
50 PBE-uMBD 17 165 40 581 176 0.3029
51 SAOP 71 275 81 1348 407 0.3019
52 scLH23t-MBR 4 27 9 102 30 0.2941
53 Chachiyo-GGA 6 24 12 102 30 0.2941
54 TASKCC 3 26 7 102 28 0.2745
55 SG4 3 28 9 102 28 0.2745
56 DSD-BLYP 89 326 119 1737 474 0.2729
57 MN12SX 5 48 22 166 41 0.2470
58 LB94 44 207 75 1069 264 0.2470
59 PBEh-3c 12 32 13 232 55 0.2371
60 S12g 44 363 99 1707 396 0.2320
61 MN15 24 100 63 483 109 0.2257
62 TMHF 3 23 9 102 23 0.2255
63 TASKxc 7 56 11 298 66 0.2215
64 M05 58 160 139 906 195 0.2152
65 MN15L 10 59 25 298 64 0.2148
66 X3LYP 26 85 63 475 100 0.2105
67 MVS 4 32 11 163 33 0.2025
68 revDOD-BLYP-D4 5 59 14 298 60 0.2013
69 APBE 25 97 36 701 136 0.1940
70 tau-HCTH 25 174 75 906 174 0.1921
71 S12h 19 84 29 594 112 0.1886
72 MGGA_MS 3 58 13 298 54 0.1812
73 KT1 1 35 7 194 31 0.1598
74 VSXC 6 84 37 507 65 0.1282
75 BLOC 6 7 1 194 24 0.1237
76 PBE-QIDH 1 9 5 64 7 0.1094
77 MN12L 12 50 44 400 42 0.1050
78 XLYP 7 81 60 475 42 0.0884
79 BMK 1 14 6 142 11 0.0775
80 TCA 0 13 4 142 9 0.0634
81 Gau-PBE 2 20 8 298 18 0.0604
82 revTCA 0 10 3 142 7 0.0493
Note: the total number of votes above refers to the sum of the total number of votes for each year in which the DFA participated