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dft_tools/test/python/elk/elk_transport_convert/KPOINTS.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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10 : nkpt; k-point, vkl, wkpt, nmat below
1 0.000000000 0.000000000 0.000000000 0.1562500000E-01 401
2 0.2500000000 0.000000000 0.000000000 0.9375000000E-01 397
3 0.5000000000 0.000000000 0.000000000 0.4687500000E-01 372
4 0.2500000000 0.2500000000 0.000000000 0.1875000000 374
5 0.5000000000 0.2500000000 0.000000000 0.1875000000 386
6 0.5000000000 0.5000000000 0.000000000 0.4687500000E-01 392
7 0.2500000000 0.2500000000 0.2500000000 0.1250000000 386
8 0.5000000000 0.2500000000 0.2500000000 0.1875000000 386
9 0.5000000000 0.5000000000 0.2500000000 0.9375000000E-01 388
10 0.5000000000 0.5000000000 0.5000000000 0.1562500000E-01 396