Input 03-sodium_chain.02-unocc.inp

Commits > Commit fa579c158b779976d5f0fa5d04f6d011c21f022f > Run spack_foss-2022a_mpi_min

Matches

Name Value Reference Precision Difference Status
Bands n=1,k=1 -3.647611000000000e+00 -3.647611000000000e+00 1.820000000000000e-05 0.000000000000000e+00 PASS
Bands n=1,k=2 -3.551627000000000e+00 -3.551627000000000e+00 1.780000000000000e-05 0.000000000000000e+00 PASS
Bands n=1,k=3 -3.264557000000000e+00 -3.264557000000000e+00 1.630000000000000e-05 0.000000000000000e+00 PASS
Bands n=1,k=4 -2.789111000000000e+00 -2.789111000000000e+00 1.390000000000000e-05 0.000000000000000e+00 PASS
Bands n=1,k=5 -2.130397000000000e+00 -2.130397000000000e+00 1.070000000000000e-05 0.000000000000000e+00 PASS
Bands n=1,k=6 -1.367358000000000e+00 -1.367359000000000e+00 6.840000000000000e-06 9.999999999177334e-07 PASS
Bands n=2,k=1 -1.236400000000000e+00 -1.236400000000000e+00 6.180000000000000e-04 0.000000000000000e+00 PASS
Bands n=2,k=2 -1.144853000000000e+00 -1.144853000000000e+00 5.720000000000000e-06 0.000000000000000e+00 PASS
Bands n=2,k=3 -8.703340000000001e-01 -8.703340000000001e-01 4.350000000000000e-05 0.000000000000000e+00 PASS
Bands n=2,k=4 -4.134630000000000e-01 -4.134630000000000e-01 2.070000000000000e-05 0.000000000000000e+00 PASS
Bands n=2,k=5 -2.806530000000000e-01 -2.806530000000000e-01 1.400000000000000e-05 0.000000000000000e+00 PASS
Bands n=2,k=6 -1.210152000000000e+00 -1.210152000000000e+00 6.050000000000000e-06 0.000000000000000e+00 PASS
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