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=16_AC_NPOINTS=100_horiz_absdev.png
Unit        : eV
Overall_MAE : 0.004698

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                0.001800       0.001400       0.001300       0.000600       0.000200       0.000900       0.001300       0.000000       0.001400       0.000900       0.000980
E-Butadiene         Butadiene             0.001300       0.002200       0.001000       0.000900       0.002400       0.001700       0.002000       0.001700       0.002400       0.004200       0.001980
all-E-Hexatriene    Hexatriene            0.002200       0.006600       0.034100       0.023300       0.003500       0.007400       0.004900       0.000500       0.001000       0.006700       0.009020
all-E-Octatetraene  Octatetraene          0.002500       0.029900       0.008800       0.003900       0.005800       0.013300       0.018500       0.001200       0.004000       0.003900       0.009180
Cyclopropene        Cyclopropene          0.002300       0.001000       0.001200       0.002100       0.001700       0.002800       0.001200       0.001200       0.001100       0.001100       0.001570
Cyclopentadiene     Cyclopentadiene       0.003900       0.004600       0.004300       0.004200       0.003900       0.004500       0.003600       0.002500       0.004000       0.006300       0.004180
Norbornadiene       Norbornadiene         0.000700       0.000900       0.001100       0.000100       0.002200       0.001300       0.001300       0.001500       0.000800       0.000200       0.001010
Benzene             Benzene               0.000000       0.003800       0.003800       0.000900       0.003200       0.003100       0.003100       0.003300       0.001100       0.001100       0.002340
Naphthalene         Naphthalene           0.002000       0.003200       0.000300       0.019700       0.012100       0.003800       0.000400       0.000300       0.002900       0.000500       0.004520
Furan               Furan                 0.000300       0.000100       0.000200       0.000300       0.000900       0.000200       0.000800       0.000400       0.000300       0.001200       0.000470
Pyrrole             Pyrrole               0.003500       0.002100       0.000300       0.001600       0.001000       0.000600       0.001100       0.004300       0.001900       0.000100       0.001650
Imidazole           Imidazole             0.005600       0.002000       0.000600       0.002000       0.001600       0.004400       0.002000       0.000300       0.001300       0.000500       0.002030
Pyridine            Pyridine              0.003900       0.006500       0.004000       0.000000       0.005700       0.000100       0.002000       0.011300       0.002300       0.006400       0.004220
Pyrazine            Pyrazine              0.008600       0.006800       0.003300       0.005200       0.012100       0.004300       0.006400       0.000500       0.012600       0.010000       0.006980
Pyrimidine          Pyrimidine            0.007500       0.006700       0.001000       0.007900       0.007700       0.007000       0.000800       0.001300       0.007100       0.009600       0.005660
Pyridazine          Pyridazine            0.005100       0.006000       0.001200       0.004800       0.004400       0.006600       0.002100       0.014100       0.005900       0.003600       0.005380
s-Triazine          Triazine              0.008300       0.007300       0.007300       0.007400       0.003700       0.015500       0.015500       0.004800       0.011300       0.011300       0.009240
s-Tetrazine         Tetrazine             0.003900       0.007000       0.000900       0.000200       0.002600       0.000300       0.011200       0.002600       0.004600       0.014100       0.004740
Formaldehyde        Formaldehyde          0.008000       0.010700       0.010600       0.011600       0.010300       0.006700       0.013100       0.012100       0.011900       0.016100       0.011110
Acetone             Acetone               0.003600       0.007800       0.008500       0.007900       0.010000       0.007500       0.009100       0.007800       0.008000       0.008600       0.007880
p-Benzoquinone      Benzoquinone          0.007700       0.007100       0.009900       0.000900       0.001200       0.001600       0.007900       0.012400       0.042300       0.025100       0.011610
Formamide           Formamide             0.000000       0.000600       0.002100       0.000800       0.004500       0.002600       0.002800       0.004400       0.002300       0.001100       0.002120
Acetamide           Acetamide             0.001000       0.001300       0.003200       0.001700       0.005300       0.001100       0.006700       0.003300       0.003700       0.002100       0.002940
Propanamide         Propanamide           0.000300       0.000300       0.003300       0.002500       0.002500       0.006500       0.005800       0.003500       0.003800       0.003100       0.003160
Cytosine            Cytosine              0.000900       0.006500       0.005400       0.004600       0.003100       0.003500       0.003600       0.001600       0.004700       0.001500       0.003540
Thymine             Thymine               0.011500       0.004200       0.000100       0.004600       0.007400       0.009300       0.006000       0.004600       0.009000       0.006800       0.006350
Uracil              Uracil                0.004400       0.000100       0.002000       0.002300       0.002200       0.004400       0.001700       0.002400       0.002400       0.000100       0.002200
Adenine             Adenine               0.002100       0.002500       0.005800       0.003100       0.003500       0.010100       0.007700       0.008800       0.007000       0.004300       0.005490
