Input 01-casida.06-casida_scalapack.inp

Commits > Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 > Run spack_intel-2022a_impi_omp

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 9.003336089999999e-22 0.000000000000000e+00 1.000000000000000e-08 9.003336089999999e-22 PASS
7th eps-diff f 4.381037640000000e-23 0.000000000000000e+00 1.000000000000000e-08 4.381037640000000e-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 1.032868640000000e-21 7.552156500000000e-22 1.000000000000000e-08 2.776529900000000e-22 PASS
2nd Petersilka f 1.032854680000000e-21 7.554436610000000e-22 1.000000000000000e-08 2.774110190000001e-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 9.207670860000000e-22 0.000000000000000e+00 9.999999999999999e-22 9.207670860000000e-22 PASS
3rd Casida f 2.482609390000000e-30 0.000000000000000e+00 1.000000000000000e-27 2.482609390000000e-30 PASS
9th Casida f 4.597353850000000e-02 4.597269200000000e-02 9.310000000000000e-07 8.464999999985290e-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 1.054464150000000e-21 0.000000000000000e+00 1.000000000000000e-08 1.054464150000000e-21 PASS
3rd TDA f 3.328812200000000e-30 0.000000000000000e+00 1.000000000000000e-08 3.328812200000000e-30 PASS
9th TDA f 4.588211180000000e-02 4.588124680000000e-02 9.510000000000000e-07 8.650000000026692e-07 PASS
Compare to other inputs