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

Commits > Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 > Run foss_mpi_autotools: [foss2022a-mpi]

Matches

Name Value Reference Precision Difference Status
5th Casida E 4.432069120000000e-01 4.432069280000000e-01 1.000000000000000e-04 -1.599999999157831e-08 PASS
5th Casida f 3.961012550000000e-03 3.960987310000000e-03 1.000000000000000e-04 2.524000000062726e-08 PASS
8th Casida E 4.473597130000000e-01 4.473597300000000e-01 1.000000000000000e-04 -1.700000001880753e-08 PASS
8th Casida f 2.507872880000000e-03 2.507895750000000e-03 1.000000000000000e-04 -2.287000000012265e-08 PASS
15th Casida E 5.054261090000000e-01 5.054261190000000e-01 1.000000000000000e-04 -1.000000005024759e-08 PASS
15th Casida f 1.105630980000000e-02 1.105628300000000e-02 1.000000000000000e-04 2.680000000046534e-08 PASS
22nd Casida E 5.129769450000000e-01 5.129769530000000e-01 1.000000000000000e-04 -7.999999995789153e-09 PASS
22nd Casida f 9.975933950000000e-03 9.975949670000000e-03 1.000000000000000e-04 -1.571999999963603e-08 PASS
28th Casida E 5.678012090000000e-01 5.678012099999999e-01 1.000000000000000e-04 -9.999999717180685e-10 PASS
28th Casida f 9.521273000000000e-03 9.521304240000000e-03 1.000000000000000e-04 -3.124000000007121e-08 PASS
31st Casida E 5.754359950000000e-01 5.754360220000000e-01 1.000000000000000e-04 -2.700000001354397e-08 PASS
31st Casida f 1.208306950000000e-02 1.208318630000000e-02 1.000000000000000e-04 -1.167999999999308e-07 PASS
36th Casida E 1.000093140000000e+00 1.000093140000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
15th Casida el 4.885064450000000e-01 4.885050760000000e-01 1.000000000000000e-04 1.369000000028819e-06 PASS
15th Casida ph 5.114935550000000e-01 5.114949240000000e-01 1.000000000000000e-04 -1.368999999917797e-06 PASS
31st Casida el 4.877265200000000e-01 4.877283630000000e-01 1.000000000000000e-04 -1.843000000001371e-06 PASS
31st Casida ph 5.122734799999999e-01 5.122716370000000e-01 1.000000000000000e-04 1.842999999945860e-06 PASS
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