Title       : Absolute error of ENERGY between cp2k and aims - GW_METHOD=evGW0_BETA_HYB=0_BASIS_SET=aug-cc-pVDZ - full
Figure      : /scratch/hpc-prf-metdyn/eprop2d2_Max/PhD_results/Figs/diff_ENERGY_full_GW_METHOD=evGW0_BETA_HYB=0_BASIS_SET=aug-cc-pVDZ_AC_NPADE=128_AC_NPOINTS=500_horiz_absdev.png
Unit        : eV
Overall_MAE : 0.002677

Molecule            Molecule_label    Excitation_1   Excitation_2   Excitation_3   Excitation_4   Excitation_5   Excitation_6   Excitation_7   Excitation_8   Excitation_9  Excitation_10   Molecule_MAE
------------------  ---------------  -------------  -------------  -------------  -------------  -------------  -------------  -------------  -------------  -------------  -------------  -------------
Ethene              Ethene                0.001200       0.001500       0.001300       0.002200       0.000800       0.001000       0.000800       0.000700       0.000600       0.000200       0.001030
E-Butadiene         Butadiene             0.002300       0.003300       0.002800       0.002300       0.002600       0.002500       0.002800       0.004600       0.002500       0.003100       0.002880
all-E-Hexatriene    Hexatriene            0.002100       0.003400       0.030200       0.019800       0.000200       0.003800       0.001400       0.000200       0.000400       0.010500       0.007200
all-E-Octatetraene  Octatetraene          0.000200       0.026900       0.005300       0.001200       0.002500       0.010000       0.015300       0.001600       0.000400       0.002000       0.006540
Cyclopropene        Cyclopropene          0.000600       0.000500       0.000700       0.001000       0.000000       0.000600       0.002100       0.000800       0.002000       0.002100       0.001040
Cyclopentadiene     Cyclopentadiene       0.000200       0.002100       0.002500       0.001900       0.001900       0.002100       0.001400       0.000200       0.001700       0.004500       0.001850
Norbornadiene       Norbornadiene         0.000800       0.000600       0.000700       0.000900       0.000500       0.000500       0.000600       0.000200       0.000900       0.000200       0.000590
Benzene             Benzene               0.002200       0.001500       0.001800       0.002900       0.001700       0.001600       0.001600       0.001900       0.001900       0.001900       0.001900
Naphthalene         Naphthalene           0.003200       0.002300       0.003100       0.016200       0.008700       0.002200       0.005500       0.003300       0.003300       0.003100       0.005090
Furan               Furan                 0.000300       0.000600       0.002100       0.000400       0.003200       0.000200       0.000900       0.000800       0.000300       0.000200       0.000900
Pyrrole             Pyrrole               0.003200       0.003000       0.000600       0.002400       0.000100       0.000900       0.000700       0.000100       0.000300       0.002200       0.001350
Imidazole           Imidazole             0.004600       0.002200       0.000700       0.000700       0.004400       0.002700       0.001900       0.000300       0.000600       0.000500       0.001860
Pyridine            Pyridine              0.004000       0.004700       0.001500       0.003000       0.000900       0.000900       0.001900       0.001900       0.001900       0.001500       0.002220
Pyrazine            Pyrazine              0.004900       0.005700       0.001000       0.002400       0.002300       0.004000       0.002100       0.003700       0.002800       0.001600       0.003050
Pyrimidine          Pyrimidine            0.002600       0.003300       0.002800       0.002300       0.002600       0.000200       0.001200       0.001600       0.000400       0.001800       0.001880
Pyridazine          Pyridazine            0.001100       0.001600       0.002500       0.000500       0.003800       0.001300       0.002400       0.005400       0.001700       0.003700       0.002400
s-Triazine          Triazine              0.005100       0.004500       0.004500       0.004500       0.000100       0.002000       0.002000       0.001800       0.003800       0.003700       0.003200
s-Tetrazine         Tetrazine             0.003400       0.004400       0.001200       0.003100       0.000300       0.001800       0.003700       0.001900       0.004000       0.011400       0.003520
Formaldehyde        Formaldehyde          0.002200       0.000500       0.000100       0.001400       0.000900       0.000600       0.014700       0.019500       0.001500       0.013800       0.005520
Acetone             Acetone               0.001500       0.001100       0.000500       0.001200       0.000700       0.001500       0.000100       0.000800       0.001600       0.000700       0.000970
p-Benzoquinone      Benzoquinone          0.000300       0.000100       0.000300       0.002600       0.002200       0.002700       0.001300       0.004700       0.023000       0.029500       0.006670
Formamide           Formamide             0.000400       0.002000       0.003000       0.001000       0.000100       0.000400       0.000400       0.000300       0.000400       0.000500       0.000850
Acetamide           Acetamide             0.002400       0.003600       0.002300       0.001600       0.001300       0.001600       0.000100       0.001500       0.000900       0.000400       0.001570
Propanamide         Propanamide           0.002500       0.003300       0.000100       0.000800       0.000900       0.002400       0.001700       0.000400       0.000400       0.000500       0.001300
Cytosine            Cytosine              0.002000       0.005800       0.002700       0.001900       0.001100       0.005100       0.004200       0.000600       0.004400       0.004300       0.003210
Thymine             Thymine               0.000500       0.001700       0.000900       0.004600       0.002700       0.000500       0.006200       0.000800       0.000700       0.001000       0.001960
Uracil              Uracil                0.000200       0.000100       0.006000       0.000100       0.000200       0.000400       0.003700       0.003600       0.000200       0.001600       0.001610
Adenine             Adenine               0.000100       0.002000       0.001300       0.002000       0.001400       0.007200       0.003000       0.006000       0.002900       0.002100       0.002800
