Input 01-casida.09-spectrum.inp

Commits > Commit 85779d3dd9ec6e18544835020e079bae8c405b87 > Run spack_foss-2023a_mpi_omp

Matches

Name Value Reference Precision Difference Status
eps_diff spectrum x 2.902348000000000e-01 2.902348000000000e-01 1.450000000000000e-06 0.000000000000000e+00 PASS
eps_diff spectrum y 1.521638000000000e+01 1.521638000000000e+01 7.610000000000000e-10 0.000000000000000e+00 PASS
eps_diff spectrum z 1.521638000000000e+01 1.521638000000000e+01 7.610000000000000e-10 0.000000000000000e+00 PASS
eps_diff spectrum tot 1.024100000000000e+01 1.024100000000000e+01 5.120000000000000e-03 0.000000000000000e+00 PASS
Petersilka spectrum x 2.605062000000000e-01 2.605062000000000e-01 1.300000000000000e-06 0.000000000000000e+00 PASS
Petersilka spectrum y 2.349590000000000e+01 2.349590000000000e+01 1.170000000000000e-03 0.000000000000000e+00 PASS
Petersilka spectrum z 2.349590000000000e+01 2.349590000000000e+01 1.170000000000000e-03 0.000000000000000e+00 PASS
Petersilka spectrum tot 1.575077000000000e+01 1.575077000000000e+01 7.880000000000000e-05 0.000000000000000e+00 PASS
Casida spectrum x 6.741672000000000e-01 6.741672000000000e-01 3.370000000000000e-06 0.000000000000000e+00 PASS
Casida spectrum y 1.420296000000000e+01 1.420298000000000e+01 7.100000000000000e-05 -2.000000000279556e-05 PASS
Casida spectrum z 1.420296000000000e+01 1.420298000000000e+01 7.100000000000000e-05 -2.000000000279556e-05 PASS
Casida spectrum tot 9.693365000000000e+00 9.693374000000000e+00 4.850000000000000e-05 -9.000000000369823e-06 PASS
CV(2) spectrum x 4.808631000000000e-01 4.808631000000000e-01 2.400000000000000e-06 0.000000000000000e+00 PASS
CV(2) spectrum y 1.181146000000000e+00 1.181154000000000e+00 2.370000000000000e-05 -8.000000000008001e-06 PASS
CV(2) spectrum z 1.181147000000000e+00 1.181155000000000e+00 2.420000000000000e-05 -8.000000000008001e-06 PASS
CV(2) spectrum tot 9.477186000000000e-01 9.477242000000000e-01 1.580000000000000e-05 -5.600000000050009e-06 PASS
Tamm-Dancoff spectrum x 6.050901000000000e-01 6.050901000000000e-01 3.030000000000000e-06 0.000000000000000e+00 PASS
Tamm-Dancoff spectrum y 1.214062000000000e+01 1.214063000000000e+01 6.070000000000000e-05 -9.999999999621423e-06 PASS
Tamm-Dancoff spectrum z 1.214062000000000e+01 1.214063000000000e+01 6.070000000000000e-05 -9.999999999621423e-06 PASS
Tamm-Dancoff spectrum tot 8.295443000000001e+00 8.295448000000000e+00 4.150000000000000e-05 -4.999999999810711e-06 PASS
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