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dft_tools/test/python/elk/elk_transport_convert/PROJ.OUT
AlynJ c202286341
Elk Transport code and subsequent updates (#229)
* elk-transport
* minor updates
* specify explicitly fortran compiler and python exe in CMAKE

Co-authored-by: Alexander Hampel <ahampel@flatironinstitute.org>
2023-01-04 17:16:57 -05:00

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1 10 1 0 5 : nproj, nkpt, nspinor, spinorb, natmtot
1 : Proj index
2 1 2 3 : Species index, natoms, l, lm submatrix size
1 : Subset no. of equivalent atoms
1 2 : atom, spatom
3 4 5 : lm indices
1 : Cubic Harmonics