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dft_tools/test/python/elk/elk_bandcharacter_convert/KPOINTS.OUT
AlynJ ce4aed3551
elk-interface bug fixes (#228)
updated the Elk interface to fix some minor bugs which arose for certain systems with equivalent atoms. I've also included new tests for this interface and collated all of these interface tests in the "test/python/elk" subdirectory.
2022-11-10 11:11:28 -05:00

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10 : nkpt; k-point, vkl, wkpt, nmat below
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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