Input 07-casida-photons.05-elpa-parother.inp

Commits > Commit 467aee6bb6aa6bf5b31aed5cccd88bd7f10f5124 > Run spack_foss-2022a_mpi_omp

Matches

Name Value Reference Precision Difference Status
5th Casida E 4.432069230000000e-01 4.432069280000000e-01 1.000000000000000e-04 -5.000000025123796e-09 PASS
5th Casida f 3.960995030000000e-03 3.960987310000000e-03 1.000000000000000e-04 7.720000000377425e-09 PASS
8th Casida E 4.473597240000000e-01 4.473597300000000e-01 1.000000000000000e-04 -5.999999996841865e-09 PASS
8th Casida f 2.507886070000000e-03 2.507895750000000e-03 1.000000000000000e-04 -9.679999999918226e-09 PASS
15th Casida E 5.054261140000000e-01 5.054261190000000e-01 1.000000000000000e-04 -4.999999969612645e-09 PASS
15th Casida f 1.105629520000000e-02 1.105628300000000e-02 1.000000000000000e-04 1.219999999982346e-08 PASS
22nd Casida E 5.129769480000000e-01 5.129769530000000e-01 1.000000000000000e-04 -4.999999969612645e-09 PASS
22nd Casida f 9.975937710000000e-03 9.975949670000000e-03 1.000000000000000e-04 -1.195999999904773e-08 PASS
28th Casida E 5.678012080000000e-01 5.678012099999999e-01 1.000000000000000e-04 -1.999999943436137e-09 PASS
28th Casida f 9.521307340000000e-03 9.521304240000000e-03 1.000000000000000e-04 3.099999999756076e-09 PASS
31st Casida E 5.754360190000000e-01 5.754360220000000e-01 1.000000000000000e-04 -3.000000026176508e-09 PASS
31st Casida f 1.208317780000000e-02 1.208318630000000e-02 1.000000000000000e-04 -8.499999998995422e-09 PASS
36th Casida E 1.000093140000000e+00 1.000093140000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
15th Casida el 4.885056500000000e-01 4.885050760000000e-01 1.000000000000000e-04 5.740000000309387e-07 PASS
15th Casida ph 5.114943500000000e-01 5.114949240000000e-01 1.000000000000000e-04 -5.739999999754275e-07 PASS
31st Casida el 4.877281120000000e-01 4.877283630000000e-01 1.000000000000000e-04 -2.510000000066626e-07 PASS
31st Casida ph 5.122718880000000e-01 5.122716370000000e-01 1.000000000000000e-04 2.510000000066626e-07 PASS
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