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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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
Hi,
It is
<m2,jspn|rho|m1,ispn>.Bests,
AK
Last edit: Ali Kefayati 2023-07-31
Hi Ali,
Thank you for your answer, I appreciate it! Also, sorry for the late response.
Best,
Max