Dynamics: Singlet MLCT, 15 modes PlasserFelix 2019 <div>Input and output files of the dynamics using the singlet MLCT states (1<sup>1</sup>MLCT, 2<sup>1</sup>MLCT) and 15 modes.</div><div><br></div><div><b>PREP</b> - general preparation files</div><div>PREP/LVC.template - LVC parameters used</div><div>PREP/ref_dyn.bash - script for generating diabatic initital conditions</div><div><br></div><div>MCTDH/pop.out - reference diabatic populations at the MCTDH level</div><div><br></div><div><b>AFSSH_E</b>, <b>EDC_Eph-plus</b>, etc. - SHARC runs</div><div>AFSSH_E/input.new - SHARC input file for AFSSH/<i>E</i></div><div><div>AFSSH_E/pop3.out - Number of trajectories in each MCH state (multiplets summed up) for AFSSH/<i>E</i><br></div><div>AFSSH_E/pop9.out - Quantum amplitudes in MCH picture (multiplets summed up) for AFSSH/<i>E</i><br></div><div>AFSSH_E/pop13.out - Transform diagonal populations to MCH states (multiplets summed up) - classical - for AFSSH/<i>E</i></div><div>AFSSH_E/pop15.out - Transform diagonal populations to MCH states (multiplets summed up) - mixed quantum/classical - for AFSSH/<i>E</i><br></div><div>AFSSH_E/pop20.out - Quantum amplitudes in diabatic picture - quantum - for AFSSH/<i>E</i><br></div><div>AFSSH_E/pop21.out - Quantum amplitudes in diabatic picture - classical - for AFSSH/<i>E</i><br></div><div>AFSSH_E/pop22.out - Quantum amplitudes in diabatic picture - mixed quantum/classical - for AFSSH/<i>E</i></div></div>