Input 03-sodium_chain.02-unocc.inp

Commits > Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a > Run foss-mpi-opt-full: [foss2023a-mpi]

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 -2.789112000000000e+00 -2.789111000000000e+00 1.390000000000000e-05 -9.999999996956888e-07 PASS
Bands n=1,k=5 -2.130397000000000e+00 -2.130397000000000e+00 1.070000000000000e-05 0.000000000000000e+00 PASS
Bands n=1,k=6 -1.367359000000000e+00 -1.367359000000000e+00 6.840000000000000e-06 0.000000000000000e+00 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 -4.134640000000000e-01 -4.134630000000000e-01 2.070000000000000e-05 -9.999999999732445e-07 PASS
Bands n=2,k=5 -2.806530000000000e-01 -2.806530000000000e-01 1.400000000000000e-05 0.000000000000000e+00 PASS
Bands n=2,k=6 -1.210153000000000e+00 -1.210152000000000e+00 6.050000000000000e-06 -1.000000000139778e-06 PASS
Compare to other inputs