Input 01-casida.07-casida_elpa.inp

Commits > Commit 584f61e8603689505e758f366f49c21c2e481def > Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]

Matches

Name Value Reference Precision Difference Status
1st eps-diff E 3.007001490000000e-01 3.007001490000000e-01 1.500000000000000e-08 0.000000000000000e+00 PASS
3rd eps-diff E 3.537266430000000e-01 3.537266430000000e-01 1.770000000000000e-08 0.000000000000000e+00 PASS
1st eps-diff f 9.005213849999999e-22 0.000000000000000e+00 1.000000000000000e-08 9.005213849999999e-22 PASS
7th eps-diff f 4.383589790000000e-23 0.000000000000000e+00 1.000000000000000e-08 4.383589790000000e-23 PASS
1st Petersilka E 3.449651910000000e-01 3.449651910000000e-01 1.720000000000000e-08 0.000000000000000e+00 PASS
2nd Petersilka E 3.449651910000000e-01 3.449651910000000e-01 1.720000000000000e-08 0.000000000000000e+00 PASS
3rd Petersilka E 3.537266420000000e-01 3.537266420000000e-01 1.770000000000000e-08 0.000000000000000e+00 PASS
9th Petersilka E 4.543886450000000e-01 4.543886450000000e-01 2.270000000000000e-08 0.000000000000000e+00 PASS
1st Petersilka f 1.033082670000000e-21 0.000000000000000e+00 1.000000000000000e-08 1.033082670000000e-21 PASS
2nd Petersilka f 1.033080230000000e-21 0.000000000000000e+00 1.000000000000000e-08 1.033080230000000e-21 PASS
7th Petersilka f 4.964738300000000e-02 4.964738300000000e-02 2.480000000000000e-08 0.000000000000000e+00 PASS
9th Petersilka f 4.974314900000000e-02 4.974314900000000e-02 2.490000000000000e-08 0.000000000000000e+00 PASS
1st Casida E 3.421134150000000e-01 3.421134150000000e-01 1.710000000000000e-08 0.000000000000000e+00 PASS
2nd Casida E 3.537266420000000e-01 3.537266420000000e-01 1.770000000000000e-08 0.000000000000000e+00 PASS
3rd Casida E 3.738606100000000e-01 3.738606100000000e-01 1.870000000000000e-07 0.000000000000000e+00 PASS
1st Casida f 9.209532439999999e-22 0.000000000000000e+00 1.000000000000000e-08 9.209532439999999e-22 PASS
3rd Casida f 3.959383950000000e-29 0.000000000000000e+00 1.000000000000000e-08 3.959383950000000e-29 PASS
9th Casida f 4.597397340000000e-02 4.597269200000000e-02 1.720000000000000e-06 1.281399999997213e-06 PASS
1st TDA E 3.449651910000000e-01 3.449651910000000e-01 1.720000000000000e-08 0.000000000000000e+00 PASS
2nd TDA E 3.537266420000000e-01 3.537266420000000e-01 1.770000000000000e-08 0.000000000000000e+00 PASS
3rd TDA E 3.744336180000000e-01 3.744336180000000e-01 1.870000000000000e-08 0.000000000000000e+00 PASS
1st TDA f 1.054706730000000e-21 0.000000000000000e+00 1.000000000000000e-08 1.054706730000000e-21 PASS
3rd TDA f 4.189524600000000e-29 0.000000000000000e+00 1.000000000000000e-08 4.189524600000000e-29 PASS
9th TDA f 4.588255620000000e-02 4.588124680000000e-02 1.750000000000000e-06 1.309400000003291e-06 PASS
Compare to other inputs