Localized Molecular Orbitals: Hamiltonian in the LMO basis

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Dmitry Ryndyk

Oct 12, 2021, 5:45:46 AMOct 12
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Dear all,

can somebody suggest a way to get the (non-diagonal) Hamiltonian in the basis of localized molecular orbitals obtained with &LOCALIZE section?
Or the unitary transformation matrix?
Or give the reference to the place in the code, where the Hamiltonian or transformation matrix is calculated.

Thank you.
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