Input 07-casida-photons.02-photons.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_serial_opt

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 3.960993700000000e-03 3.960987310000000e-03 1.000000000000000e-04 6.390000000487672e-09 PASS
8th Casida E 4.473597240000000e-01 4.473597300000000e-01 1.000000000000000e-04 -5.999999996841865e-09 PASS
8th Casida f 2.507886850000000e-03 2.507895750000000e-03 1.000000000000000e-04 -8.899999999999186e-09 PASS
15th Casida E 5.054261140000000e-01 5.054261190000000e-01 1.000000000000000e-04 -4.999999969612645e-09 PASS
15th Casida f 1.105629650000000e-02 1.105628300000000e-02 1.000000000000000e-04 1.349999999983309e-08 PASS
22nd Casida E 5.129769480000000e-01 5.129769530000000e-01 1.000000000000000e-04 -4.999999969612645e-09 PASS
22nd Casida f 9.975937680000000e-03 9.975949670000000e-03 1.000000000000000e-04 -1.198999999979522e-08 PASS
28th Casida E 5.678012090000000e-01 5.678012099999999e-01 1.000000000000000e-04 -9.999999717180685e-10 PASS
28th Casida f 9.521307300000000e-03 9.521304240000000e-03 3.000000000000000e-04 3.059999999915908e-09 PASS
31st Casida E 5.754360210000000e-01 5.754360220000000e-01 1.000000000000000e-04 -9.999999717180685e-10 PASS
31st Casida f 1.208318360000000e-02 1.208318630000000e-02 1.000000000000000e-04 -2.699999999619673e-09 PASS
36th Casida E 1.000093140000000e+00 1.000093140000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
15th Casida el 4.885056660000000e-01 4.885050760000000e-01 1.000000000000000e-04 5.900000000225170e-07 PASS
15th Casida ph 5.114943340000000e-01 5.114949240000000e-01 1.000000000000000e-04 -5.899999999670058e-07 PASS
31st Casida el 4.877282380000000e-01 4.877283630000000e-01 1.000000000000000e-04 -1.250000000174722e-07 PASS
31st Casida ph 5.122717620000000e-01 5.122716370000000e-01 1.000000000000000e-04 1.250000000174722e-07 PASS
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