Usage: eda [-r RefFile] [-u UNIT] [-v] [--version] [-h] OutputFiles Options: -r RefFile Outputfile to be used as reference for computing relative energies (if not given, then the one with lowest energy will be used) -u --unit Unit of energy to be used (default kcal/mol) kJ kJ/mol eV eV cm-1 cm-1 au Hartree -v Verbose printing --version Version of eda -h Help function (this message) Example: Reading 1 outputfiles Unit of energy used: kcal/mol Pauli Elstat OrbInt Disp. Solv. TOTAL Erel Symm. ------------------------------------------------------------------------------------------------------------------------ 11931.960 -2649.060 -12313.049 -14.462 0.000 -3010.762 0.000 D(5H) 3.771 ADF(1) Corresponding output files 1 : opt_bp86d3_vanadocene_0_2.1251661.out