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Included modified routines for the calculation of second k-space
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derivatives of Hamiltonian and position operator.
Included option for including the Wannier centres into the
exponentials of the Fourier sums (so-called tight-binding convention).
Included option for considering a small broadening parameter when
computing denominators that contain energy differences,
numerically needed for the sums over virtual
states involved in the calculation of the shift current.
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Julen-ia committed Jun 4, 2018
1 parent 67c89b1 commit f602c55
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