Input 01-casida.08-casida_restart.inp

Commits > Commit 995bec41f97239ed4859b75e5397558b96cd16ab > Run spack_foss-2023a_mpi_min

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
12th eps-diff E 4.336070880000000e-01 4.336070880000000e-01 2.170000000000000e-08 0.000000000000000e+00 PASS
1st eps-diff f 6.585744710000000e-22 0.000000000000000e+00 1.000000000000000e-08 6.585744710000000e-22 PASS
7th eps-diff f 3.146403240000000e-23 0.000000000000000e+00 1.000000000000000e-08 3.146403240000000e-23 PASS
12th eps-diff f 8.439345730000000e-02 8.439345730000000e-02 4.220000000000000e-09 0.000000000000000e+00 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 4.333069500000000e-01 4.333069500000000e-01 2.170000000000000e-07 0.000000000000000e+00 PASS
1st Petersilka f 7.555196050000000e-22 0.000000000000000e+00 1.000000000000000e-08 7.555196050000000e-22 PASS
2nd Petersilka f 7.555283000000000e-22 0.000000000000000e+00 1.000000000000000e-08 7.555283000000000e-22 PASS
7th Petersilka f 4.964723860000000e-02 4.964723860000000e-02 2.480000000000000e-09 -6.938893903907228e-18 PASS
9th Petersilka f 8.433504100000000e-02 8.433504100000000e-02 4.220000000000000e-08 0.000000000000000e+00 PASS
1st Casida E 3.391886020000000e-01 3.391886020000000e-01 1.700000000000000e-08 0.000000000000000e+00 PASS
2nd Casida E 3.537278290000000e-01 3.537278290000000e-01 1.770000000000000e-08 0.000000000000000e+00 PASS
3rd Casida E 3.738539380000000e-01 3.738539380000000e-01 1.870000000000000e-08 0.000000000000000e+00 PASS
1st Casida f 1.939959650000000e-22 0.000000000000000e+00 1.000000000000000e-08 1.939959650000000e-22 PASS
3rd Casida f 7.725306250000000e-10 4.001630660000000e-10 4.270000000000000e-10 3.723675590000000e-10 PASS
9th Casida f 1.345999600000000e-01 1.345999600000000e-01 6.730000000000000e-08 0.000000000000000e+00 PASS
1st TDA E 3.425453920000000e-01 3.425453920000000e-01 1.710000000000000e-08 0.000000000000000e+00 PASS
2nd TDA E 3.537278290000000e-01 3.537278290000000e-01 1.770000000000000e-08 0.000000000000000e+00 PASS
3rd TDA E 3.744279560000000e-01 3.744279560000000e-01 1.870000000000000e-08 0.000000000000000e+00 PASS
1st TDA f 2.287933630000000e-22 0.000000000000000e+00 1.000000000000000e-08 2.287933630000000e-22 PASS
3rd TDA f 6.880094590000000e-10 2.800000000000000e-10 5.000000000000000e-10 4.080094590000000e-10 PASS
9th TDA f 1.325264220000000e-01 1.325264220000000e-01 6.630000000000000e-09 0.000000000000000e+00 PASS
1st eps-diff force 1 1 -2.484920000000000e-01 -2.484920000000000e-01 1.240000000000000e-05 0.000000000000000e+00 PASS
1st eps-diff force 1 2 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
9th eps-diff force 1 1 -2.698200000000000e-02 -2.698200000000000e-02 1.350000000000000e-05 3.469446951953614e-18 PASS
1st Pet force 1 1 -2.419220000000000e-01 -2.419220000000000e-01 1.210000000000000e-05 0.000000000000000e+00 PASS
1st Pet force 1 2 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
9th Pet force 1 1 -2.332700000000000e-02 -2.332700000000000e-02 1.170000000000000e-05 0.000000000000000e+00 PASS
1st TDA force 1 1 -2.712920000000000e-01 -2.712920000000000e-01 1.360000000000000e-05 0.000000000000000e+00 PASS
1st TDA force 1 2 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
9th TDA force 1 1 -2.446400000000000e-02 -2.446400000000000e-02 1.220000000000000e-05 0.000000000000000e+00 PASS
Compare to other inputs