Input 07-casida-photons.03-scalapack.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_cmake: [foss2023a-mpi, foss-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 |