Input 01-casida.09-spectrum.inp

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > Run foss_cmake_mpi_min: [foss2022a-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 1.419943000000000e+01 1.419944000000000e+01 7.100000000000000e-05 -9.999999999621423e-06 PASS
Casida spectrum z 1.419943000000000e+01 1.419944000000000e+01 7.100000000000000e-05 -9.999999999621423e-06 PASS
Casida spectrum tot 9.690989000000000e+00 9.690990000000001e+00 4.850000000000000e-05 -1.000000001027956e-06 PASS
CV(2) spectrum x 4.808010000000000e-01 4.808010000000000e-01 2.400000000000000e-05 0.000000000000000e+00 PASS
CV(2) spectrum y 1.181211000000000e+00 1.181211000000000e+00 2.370000000000000e-05 0.000000000000000e+00 PASS
CV(2) spectrum z 1.181211000000000e+00 1.181212000000000e+00 2.310000000000000e-05 -9.999999999177334e-07 PASS
CV(2) spectrum tot 9.477411000000000e-01 9.477416000000000e-01 1.570000000000000e-05 -4.999999999588667e-07 PASS
Tamm-Dancoff spectrum x 6.050210000000000e-01 6.050210000000000e-01 3.030000000000000e-05 0.000000000000000e+00 PASS
Tamm-Dancoff spectrum y 1.213955000000000e+01 1.213955000000000e+01 6.070000000000000e-05 0.000000000000000e+00 PASS
Tamm-Dancoff spectrum z 1.213955000000000e+01 1.213955000000000e+01 6.070000000000000e-05 0.000000000000000e+00 PASS
Tamm-Dancoff spectrum tot 8.294708999999999e+00 8.294709000000001e+00 1.540000000000000e-05 -1.776356839400250e-15 PASS
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