####################################################################### # Benzene # # # ####################################################################### RUN-SECTION name = ag tfinal= 100000.0 tout= 1.00 tpsi= 5.00 propagation auto psi=compact steps gridpop=el end-run-section OPERATOR-SECTION opname = ag end-operator-section sbasis-section tors = 10,10,10,2,2,2,2,2,2,10 stretch = 10,10,10,2,2,2,2,2,2,10 multi-set end-sbasis-section pbasis-section tors FFT 1001 -180, deg 180, deg s-periodic stretch FFT 801 -0.7 3 el el 10 end-pbasis-section INTEGRATOR-SECTION CMF/var = 0.25, 1d-6 RK8/spf = 4d-7, 0.1 SIL/A = 20, 4d-7 end-integrator-section INIT_WF-SECTION build init_state=10 tors gauss -0.5 0.00 0.35 stretch gauss -0.15 0.00 0.0553 end-build end-init_wf-section end-input