Input 07-casida-photons.05-elpa-parother.inp

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
5th Casida E 4.432069320000000e-01 4.432069280000000e-01 1.000000000000000e-04 3.999999997894577e-09 PASS
5th Casida f 3.960979490000000e-03 3.960987310000000e-03 1.000000000000000e-04 -7.819999999977845e-09 PASS
8th Casida E 4.473597340000000e-01 4.473597300000000e-01 1.000000000000000e-04 3.999999997894577e-09 PASS
8th Casida f 2.507901100000000e-03 2.507895750000000e-03 1.000000000000000e-04 5.349999999872818e-09 PASS
15th Casida E 5.054261220000000e-01 5.054261190000000e-01 1.000000000000000e-04 3.000000026176508e-09 PASS
15th Casida f 1.105627520000000e-02 1.105628300000000e-02 1.000000000000000e-04 -7.800000000057761e-09 PASS
22nd Casida E 5.129769570000000e-01 5.129769530000000e-01 1.000000000000000e-04 3.999999997894577e-09 PASS
22nd Casida f 9.975960920000001e-03 9.975949670000000e-03 1.000000000000000e-04 1.125000000101739e-08 PASS
28th Casida E 5.678012170000000e-01 5.678012099999999e-01 1.000000000000000e-04 7.000000024071085e-09 PASS
28th Casida f 9.521284170000000e-03 9.521304240000000e-03 1.000000000000000e-04 -2.007000000046888e-08 PASS
31st Casida E 5.754360280000000e-01 5.754360220000000e-01 1.000000000000000e-04 6.000000052353016e-09 PASS
31st Casida f 1.208320620000000e-02 1.208318630000000e-02 1.000000000000000e-04 1.990000000028080e-08 PASS
36th Casida E 1.000093140000000e+00 1.000093140000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
15th Casida el 4.885046330000000e-01 4.885050760000000e-01 1.000000000000000e-04 -4.429999999611134e-07 PASS
15th Casida ph 5.114953670000000e-01 5.114949240000000e-01 1.000000000000000e-04 4.430000000166245e-07 PASS
31st Casida el 4.877292780000000e-01 4.877283630000000e-01 1.000000000000000e-04 9.149999999902292e-07 PASS
31st Casida ph 5.122707220000000e-01 5.122716370000000e-01 1.000000000000000e-04 -9.149999999902292e-07 PASS
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