Activity for Bear Smith

  • Bear Smith Bear Smith posted a comment on discussion Elk Users

    Dear elk community, Recently I'm playing with elk to do some rt-TDDFT calculations of materials under intense laser pulse. I noticed the examples in the "TDDFT-time-evolution" directory and went through some of the examples. After that, I'm curious about the symmetry setting in the rt-TDDFT calculation. As I know, the lase field usually can break the symmetry of the system Hamiltonian to some extent. The symmetry of the time-dependent Hamiltonian is lower than that of the ground state. Thus when...

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