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dft_tools/test/python/w90_convert/SrVO3_col.nnkp

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Updated W90 converter: bug fixes for SOC, code restructured, more tests for add_lambda and bloch_basis
2022-02-01 11:06:40 +01:00
File written on 6Jan2022 at 14:48:57
calc_only_A : F
begin real_lattice
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0.0000000 3.8420900 0.0000000
0.0000000 0.0000000 3.9600000
end real_lattice
begin recip_lattice
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0.0000000 1.6353561 0.0000000
0.0000000 0.0000000 1.5866630
end recip_lattice
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end nnkpts
begin exclude_bands
7
1
2
3
4
5
6
7
end exclude_bands
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