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TDDMPropagationBasis
TDDMPropagationBasis
Section Time-Dependent
Type integer
Default Adiabatic
Decides the basis set for the density matrix propagation.
Options:
- Adiabatic:
Istantaneous eigenstates of the Hamiltonian.
- Groundstate:
Eigenstates of the Hamiltonian at t=0.
Source information
td/dm_propagation.F90 : 183
call parse_variable(namespace, 'TDDMPropagationBasis', OPTION__TDDMPROPAGATIONBASIS__ADIABATIC, this%basis)