Input 01-casida.06-casida_scalapack.inp

Commits > Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 > Run cmake_foss_2022a_min_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 9.006752359999999e-22 0.000000000000000e+00 1.000000000000000e-08 9.006752359999999e-22 PASS
7th eps-diff f 4.385657000000000e-23 0.000000000000000e+00 1.000000000000000e-08 4.385657000000000e-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 1.033209250000000e-21 7.552156500000000e-22 1.000000000000000e-08 2.779935999999999e-22 PASS
2nd Petersilka f 1.033245980000000e-21 7.554436610000000e-22 1.000000000000000e-08 2.778023190000000e-22 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 9.210440070000000e-22 0.000000000000000e+00 9.999999999999999e-22 9.210440070000000e-22 PASS
3rd Casida f 2.542452220000000e-29 0.000000000000000e+00 1.000000000000000e-27 2.542452220000000e-29 PASS
9th Casida f 4.597238990000000e-02 4.597269200000000e-02 9.310000000000000e-07 -3.021000000019702e-07 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 1.054881520000000e-21 0.000000000000000e+00 1.000000000000000e-08 1.054881520000000e-21 PASS
3rd TDA f 2.865351460000000e-29 0.000000000000000e+00 1.000000000000000e-08 2.865351460000000e-29 PASS
9th TDA f 4.588093800000000e-02 4.588124680000000e-02 9.510000000000000e-07 -3.087999999942803e-07 PASS
Compare to other inputs