Input 01-casida.09-spectrum.inp

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > Run foss_mpi_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
eps_diff spectrum x 2.902434000000000e-01 2.902434000000000e-01 1.450000000000000e-06 0.000000000000000e+00 PASS
eps_diff spectrum y 1.521389000000000e+01 1.521389000000000e+01 7.610000000000001e-05 0.000000000000000e+00 PASS
eps_diff spectrum z 1.521389000000000e+01 1.521389000000000e+01 7.610000000000001e-05 0.000000000000000e+00 PASS
eps_diff spectrum tot 1.023934000000000e+01 1.024100000000000e+01 5.120000000000000e-03 -1.659999999999329e-03 PASS
Petersilka spectrum x 2.605148000000000e-01 2.605148000000000e-01 1.300000000000000e-06 0.000000000000000e+00 PASS
Petersilka spectrum y 2.348781000000000e+01 2.348781000000000e+01 1.170000000000000e-04 0.000000000000000e+00 PASS
Petersilka spectrum z 2.348781000000000e+01 2.348781000000000e+01 1.170000000000000e-04 0.000000000000000e+00 PASS
Petersilka spectrum tot 1.574538000000000e+01 1.574538000000000e+01 7.870000000000000e-05 0.000000000000000e+00 PASS
Casida spectrum x 6.740964000000000e-01 6.740964000000000e-01 3.370000000000000e-06 0.000000000000000e+00 PASS
Casida spectrum y 1.419945000000000e+01 1.419944000000000e+01 7.100000000000000e-05 1.000000000139778e-05 PASS
Casida spectrum z 1.419944000000000e+01 1.419944000000000e+01 7.100000000000000e-05 0.000000000000000e+00 PASS
Casida spectrum tot 9.690994999999999e+00 9.690990000000001e+00 4.850000000000000e-05 4.999999998034355e-06 PASS
CV(2) spectrum x 4.808010000000000e-01 4.808010000000000e-01 2.400000000000000e-05 0.000000000000000e+00 PASS
CV(2) spectrum y 1.181218000000000e+00 1.181211000000000e+00 2.370000000000000e-05 7.000000000090267e-06 PASS
CV(2) spectrum z 1.181218000000000e+00 1.181212000000000e+00 2.310000000000000e-05 6.000000000172534e-06 PASS
CV(2) spectrum tot 9.477457000000000e-01 9.477416000000000e-01 1.570000000000000e-05 4.100000000062387e-06 PASS
Tamm-Dancoff spectrum x 6.050210000000000e-01 6.050210000000000e-01 3.030000000000000e-05 0.000000000000000e+00 PASS
Tamm-Dancoff spectrum y 1.213956000000000e+01 1.213955000000000e+01 6.070000000000000e-05 9.999999999621423e-06 PASS
Tamm-Dancoff spectrum z 1.213956000000000e+01 1.213955000000000e+01 6.070000000000000e-05 9.999999999621423e-06 PASS
Tamm-Dancoff spectrum tot 8.294713000000000e+00 8.294709000000001e+00 1.540000000000000e-05 3.999999998782755e-06 PASS
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