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

Commits > Commit 42d5c2c12b8376ac01df1778205b77ce6ca96480 > Run cmake_foss_2022a_min_mpi

Matches

Name Value Reference Precision Difference Status
5th Casida E 4.432069240000000e-01 4.432069280000000e-01 1.000000000000000e-04 -3.999999997894577e-09 PASS
5th Casida f 3.960993810000000e-03 3.960987310000000e-03 1.000000000000000e-04 6.500000000048134e-09 PASS
8th Casida E 4.473597250000000e-01 4.473597300000000e-01 1.000000000000000e-04 -5.000000025123796e-09 PASS
8th Casida f 2.507887900000000e-03 2.507895750000000e-03 1.000000000000000e-04 -7.849999999857971e-09 PASS
15th Casida E 5.054261160000000e-01 5.054261190000000e-01 1.000000000000000e-04 -3.000000026176508e-09 PASS
15th Casida f 1.105629120000000e-02 1.105628300000000e-02 1.000000000000000e-04 8.200000000194163e-09 PASS
22nd Casida E 5.129769500000000e-01 5.129769530000000e-01 1.000000000000000e-04 -3.000000026176508e-09 PASS
22nd Casida f 9.975942780000000e-03 9.975949670000000e-03 1.000000000000000e-04 -6.889999999357133e-09 PASS
28th Casida E 5.678012099999999e-01 5.678012099999999e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
28th Casida f 9.521298740000000e-03 9.521304240000000e-03 1.000000000000000e-04 -5.500000000574490e-09 PASS
31st Casida E 5.754360180000000e-01 5.754360220000000e-01 1.000000000000000e-04 -3.999999997894577e-09 PASS
31st Casida f 1.208317090000000e-02 1.208318630000000e-02 1.000000000000000e-04 -1.539999999917996e-08 PASS
36th Casida E 1.000093140000000e+00 1.000093140000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
15th Casida el 4.885054780000000e-01 4.885050760000000e-01 1.000000000000000e-04 4.020000000104496e-07 PASS
15th Casida ph 5.114945220000000e-01 5.114949240000000e-01 1.000000000000000e-04 -4.019999999549384e-07 PASS
31st Casida el 4.877281610000000e-01 4.877283630000000e-01 1.000000000000000e-04 -2.020000000046984e-07 PASS
31st Casida ph 5.122718390000000e-01 5.122716370000000e-01 1.000000000000000e-04 2.019999999491873e-07 PASS
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