cg3, N=67, gradient in meV/Ao, 2023-03-12 optimization SP finerSP nopt |G| maxG |G| maxG |G| maxG anthracene 32 27 35 27 36 27 36 anthraquinone 37 12 17 12 17 12 17 benzene 35 6 8 8 9 12 15 benzeneF6 56 9 12 8 11 8 11 benzeneO2 38 13 17 15 20 15 20 benzodithiopheneO2 35 46 66 49 71 48 71 benzotrithiophene 44 17 34 18 35 18 35 benzotrithiopheneA 19 7 11 7 10 7 10 bithiophene 15 11 16 10 14 10 14 BODIPY 46 8 12 9 13 9 13 BTBT 18 10 17 9 16 9 16 C60 9 3 5 4 5 4 5 carbazole 50 7 15 7 14 7 14 carbazoleNO2b 56 8 14 8 14 8 14 chrysene 52 6 9 7 12 7 12 coronene 11 11 14 10 13 10 13 DATT 26 8 17 8 15 8 15 DBTTF 17 10 14 10 14 10 14 dibenzoindigo 44 10 14 10 13 10 12 DNBDT 30 9 12 9 14 9 14 DNTT 26 9 12 9 15 9 15 hexacene 37 18 33 19 34 39 60 HMTTF 52 7 11 7 11 7 11 ICZb 53 11 16 11 18 11 18 ICZbCl2c 30 30 49 29 49 29 49 IF12b 50 9 16 9 17 9 17 IF21a 76 5 10 10 19 10 20 indigo 34 10 16 10 15 10 15 indigoCl2 55 10 19 10 20 10 20 naphthalene 32 9 14 9 14 9 14 NDFPh 33 9 14 10 15 10 15 NDI 23 48 98 47 97 47 97 NDT 53 5 8 5 9 5 9 oligothiophene4 68 8 12 8 12 8 12 oligothiophene6 16 30 52 29 47 29 47 OPV3CN 46 10 27 11 28 11 28 PBBTZ 45 5 7 5 8 5 8 PDI 57 8 13 8 15 8 15 pentacene 50 6 8 6 8 7 10 pentaceneN2Cl4 49 16 26 17 25 21 26 pentaceneN4O2 20 35 73 34 70 34 70 perylene 47 19 29 20 33 20 32 phenazine 41 26 36 26 35 26 35 PTCDA 52 11 27 12 25 12 25 pyrene 31 7 9 7 9 7 9 quinacridone 69 9 15 10 15 10 15 spirobidibenzosilole 54 4 5 4 5 4 5 spirobifluorene 43 5 7 5 7 5 7 stilbene 48 7 13 7 12 7 12 TCNQ 46 43 71 43 72 43 72 TCNQ-F2 37 41 60 43 63 43 63 TCNQ-F4 57 14 19 17 22 17 22 tetracene 30 11 18 12 21 12 21 thiazolothiazolePh 42 13 20 14 20 14 20 TPP 56 5 7 6 7 6 7 triazine 24 15 20 14 17 14 17 triphenylbenzene 90 4 8 5 9 5 9 triphenylene 46 6 9 6 8 6 8 triphenyltriazine 64 5 8 6 8 6 9 triptycene 58 6 12 6 11 6 11 TTAa 23 8 11 9 11 8 11 TTAb 15 10 13 11 14 11 14 TTF 22 11 11 11 11 11 11 TTPa 41 10 14 11 15 11 15 TTPb 33 10 14 9 17 9 17 TTPc 29 19 45 19 47 19 47 TTTT 33 13 19 12 22 12 22