Input 01-casida.07-casida_elpa.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
1st eps-diff E 3.007022120000000e-01 3.007022120000000e-01 1.500000000000000e-08 0.000000000000000e+00 PASS
3rd eps-diff E 3.537278300000000e-01 3.537278300000000e-01 1.770000000000000e-07 0.000000000000000e+00 PASS
1st eps-diff f 6.583002620000000e-22 0.000000000000000e+00 1.000000000000000e-08 6.583002620000000e-22 PASS
7th eps-diff f 3.146972060000000e-23 0.000000000000000e+00 1.000000000000000e-08 3.146972060000000e-23 PASS
1st Petersilka E 3.449669340000000e-01 3.449669340000000e-01 1.720000000000000e-08 0.000000000000000e+00 PASS
2nd Petersilka E 3.449669340000000e-01 3.449669340000000e-01 1.720000000000000e-08 0.000000000000000e+00 PASS
3rd Petersilka E 3.537278290000000e-01 3.537278290000000e-01 1.770000000000000e-08 0.000000000000000e+00 PASS
9th Petersilka E 4.543864810000000e-01 4.543864810000000e-01 2.270000000000000e-08 0.000000000000000e+00 PASS
1st Petersilka f 7.552050310000000e-22 0.000000000000000e+00 1.000000000000000e-08 7.552050310000000e-22 PASS
2nd Petersilka f 7.552042400000000e-22 0.000000000000000e+00 1.000000000000000e-08 7.552042400000000e-22 PASS
7th Petersilka f 4.964723860000000e-02 4.964723860000000e-02 2.480000000000000e-09 0.000000000000000e+00 PASS
9th Petersilka f 4.974459740000000e-02 4.974459740000000e-02 2.490000000000000e-09 0.000000000000000e+00 PASS
1st Casida E 3.421152140000000e-01 3.421152140000000e-01 1.710000000000000e-08 0.000000000000000e+00 PASS
2nd Casida E 3.537278290000000e-01 3.537278290000000e-01 1.770000000000000e-08 0.000000000000000e+00 PASS
3rd Casida E 3.738617100000000e-01 3.738617100000000e-01 1.870000000000000e-07 0.000000000000000e+00 PASS
1st Casida f 6.735227430000000e-22 0.000000000000000e+00 1.000000000000000e-08 6.735227430000000e-22 PASS
3rd Casida f 9.085588280000000e-30 0.000000000000000e+00 1.000000000000000e-08 9.085588280000000e-30 PASS
9th Casida f 4.597316500000000e-02 4.597407190000000e-02 1.610000000000000e-06 -9.069000000000438e-07 PASS
1st TDA E 3.449669340000000e-01 3.449669340000000e-01 1.720000000000000e-08 0.000000000000000e+00 PASS
2nd TDA E 3.537278290000000e-01 3.537278290000000e-01 1.770000000000000e-08 0.000000000000000e+00 PASS
3rd TDA E 3.744347120000000e-01 3.744347120000000e-01 1.870000000000000e-08 0.000000000000000e+00 PASS
1st TDA f 7.713190330000000e-22 0.000000000000000e+00 1.000000000000000e-08 7.713190330000000e-22 PASS
3rd TDA f 9.856572970000000e-30 0.000000000000000e+00 1.000000000000000e-08 9.856572970000000e-30 PASS
9th TDA f 4.588170200000000e-02 4.588262880000000e-02 1.640000000000000e-06 -9.267999999951204e-07 PASS
Compare to other inputs