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

Commits > Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 > Run intel_mpi_autotools: [intel2023a-mpi]

Matches

Name Value Reference Precision Difference Status
5th Casida E 4.432069390000000e-01 4.432069280000000e-01 1.000000000000000e-04 1.100000002196566e-08 PASS
5th Casida f 3.960971440000000e-03 3.960987310000000e-03 1.000000000000000e-04 -1.586999999990402e-08 PASS
8th Casida E 4.473597620000000e-01 4.473597300000000e-01 1.000000000000000e-04 3.199999998315661e-08 PASS
8th Casida f 2.507961520000000e-03 2.507895750000000e-03 1.000000000000000e-04 6.577000000000666e-08 PASS
15th Casida E 5.054261610000000e-01 5.054261190000000e-01 1.000000000000000e-04 4.200000003340421e-08 PASS
15th Casida f 1.105616420000000e-02 1.105628300000000e-02 1.000000000000000e-04 -1.188000000006129e-07 PASS
22nd Casida E 5.129770360000000e-01 5.129769530000000e-01 1.000000000000000e-04 8.299999998406804e-08 PASS
22nd Casida f 9.976289899999999e-03 9.975949670000000e-03 1.000000000000000e-04 3.402299999996639e-07 PASS
28th Casida E 5.678013740000000e-01 5.678012099999999e-01 1.000000000000000e-04 1.640000000246999e-07 PASS
28th Casida f 9.520402560000000e-03 9.521304240000000e-03 1.000000000000000e-04 -9.016800000000852e-07 PASS
31st Casida E 5.754358380000000e-01 5.754360220000000e-01 1.000000000000000e-04 -1.840000000141728e-07 PASS
31st Casida f 1.208212230000000e-02 1.208318630000000e-02 1.000000000000000e-04 -1.064000000000273e-06 PASS
36th Casida E 1.000093140000000e+00 1.000093140000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
15th Casida el 4.884994780000000e-01 4.885050760000000e-01 1.000000000000000e-04 -5.597999999995551e-06 PASS
15th Casida ph 5.115005220000000e-01 5.114949240000000e-01 1.000000000000000e-04 5.597999999995551e-06 PASS
31st Casida el 4.877258780000000e-01 4.877283630000000e-01 1.000000000000000e-04 -2.484999999996518e-06 PASS
31st Casida ph 5.122741220000000e-01 5.122716370000000e-01 1.000000000000000e-04 2.484999999996518e-06 PASS
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