Input 01-casida.06-casida_scalapack.inp

Commits > Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 > Run eb_foss-2022b_libxc6_mpi

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 6.582805240000000e-22 0.000000000000000e+00 1.000000000000000e-08 6.582805240000000e-22 PASS
7th eps-diff f 3.146088250000000e-23 0.000000000000000e+00 1.000000000000000e-08 3.146088250000000e-23 PASS
1st Petersilka E 3.449669340000000e-01 3.449669340000000e-01 1.000000000000000e-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 7.551823870000000e-22 7.552156500000000e-22 1.000000000000000e-08 -3.326299999996716e-26 PASS
2nd Petersilka f 7.552247230000000e-22 7.554436610000000e-22 1.000000000000000e-08 -2.189379999999752e-25 PASS
7th Petersilka f 4.964723860000000e-02 4.964723860000000e-02 2.480000000000000e-09 -6.938893903907228e-18 PASS
9th Petersilka f 4.974459740000000e-02 4.974459740000001e-02 2.490000000000000e-09 -6.938893903907228e-18 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 6.735057600000000e-22 0.000000000000000e+00 9.999999999999999e-22 6.735057600000000e-22 PASS
3rd Casida f 1.799634030000000e-30 0.000000000000000e+00 1.000000000000000e-27 1.799634030000000e-30 PASS
9th Casida f 4.597476320000000e-02 4.597407190000000e-02 1.610000000000000e-06 6.912999999941771e-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 7.712807610000000e-22 0.000000000000000e+00 1.000000000000000e-08 7.712807610000000e-22 PASS
3rd TDA f 1.457736770000000e-30 0.000000000000000e+00 1.000000000000000e-08 1.457736770000000e-30 PASS
9th TDA f 4.588333520000000e-02 4.588262880000001e-02 1.640000000000000e-06 7.063999999945558e-07 PASS
Compare to other inputs