Input 07-casida-photons.03-scalapack.inp

Commits > Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca > Run foss-min-parallel: [foss2022a-mpi]

Matches

Name Value Reference Precision Difference Status
5th Casida E 4.432069270000000e-01 4.432069280000000e-01 1.000000000000000e-04 -1.000000027229220e-09 PASS
5th Casida f 3.960987390000000e-03 3.960987310000000e-03 1.000000000000000e-04 8.000000054769751e-11 PASS
8th Casida E 4.473597290000000e-01 4.473597300000000e-01 1.000000000000000e-04 -1.000000027229220e-09 PASS
8th Casida f 2.507893260000000e-03 2.507895750000000e-03 1.000000000000000e-04 -2.490000000025111e-09 PASS
15th Casida E 5.054261180000000e-01 5.054261190000000e-01 1.000000000000000e-04 -9.999999717180685e-10 PASS
15th Casida f 1.105628650000000e-02 1.105628300000000e-02 1.000000000000000e-04 3.499999999892478e-09 PASS
22nd Casida E 5.129769520000000e-01 5.129769530000000e-01 1.000000000000000e-04 -9.999999717180685e-10 PASS
22nd Casida f 9.975948290000000e-03 9.975949670000000e-03 1.000000000000000e-04 -1.379999999689963e-09 PASS
28th Casida E 5.678012130000000e-01 5.678012099999999e-01 1.000000000000000e-04 3.000000026176508e-09 PASS
28th Casida f 9.521296929999999e-03 9.521304240000000e-03 1.000000000000000e-04 -7.310000001148342e-09 PASS
31st Casida E 5.754360240000000e-01 5.754360220000000e-01 1.000000000000000e-04 2.000000054458440e-09 PASS
31st Casida f 1.208319330000000e-02 1.208318630000000e-02 1.000000000000000e-04 6.999999999784956e-09 PASS
36th Casida E 1.000093140000000e+00 1.000093140000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
15th Casida el 4.885051890000000e-01 4.885050760000000e-01 1.000000000000000e-04 1.130000000237885e-07 PASS
15th Casida ph 5.114948110000000e-01 5.114949240000000e-01 1.000000000000000e-04 -1.129999999127662e-07 PASS
31st Casida el 4.877286950000000e-01 4.877283630000000e-01 1.000000000000000e-04 3.319999999917833e-07 PASS
31st Casida ph 5.122713050000000e-01 5.122716370000000e-01 1.000000000000000e-04 -3.320000000472945e-07 PASS
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