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  • Posted a comment on discussion Elk Developers on Elk

    Hi Ali, Thank you for your answer, I appreciate it! Also, sorry for the late response. Best, Max

  • Posted a comment on discussion Elk Developers on Elk

    Dear all, I'm reading in the local density matrix from the file DMATMT.OUT and I have a short question about the order of indices. Is the matrix written as a Fortran-order matrix or C-order? That is, do the indices m1, m2, ispn and jspn label the density matrix <m2, jspn|rho|m1,ispn> or <m1,ispn|rho|m2,jspn>? Thank you already. Best, Max

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