Input 01-casida.06-casida_scalapack.inp

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run spack_foss-2023a_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 6.585744710000000e-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
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 7.555196050000000e-22 7.552156500000000e-22 1.000000000000000e-08 3.039549999999593e-25 PASS
2nd Petersilka f 7.555283000000000e-22 7.554436610000000e-22 1.000000000000000e-08 8.463900000000790e-26 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 6.738044170000000e-22 0.000000000000000e+00 9.999999999999999e-22 6.738044170000000e-22 PASS
3rd Casida f 1.588697950000000e-30 0.000000000000000e+00 1.000000000000000e-27 1.588697950000000e-30 PASS
9th Casida f 4.597322690000000e-02 4.597407190000000e-02 1.610000000000000e-06 -8.450000000062574e-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 7.716205480000000e-22 0.000000000000000e+00 1.000000000000000e-08 7.716205480000000e-22 PASS
3rd TDA f 8.575083100000000e-31 0.000000000000000e+00 1.000000000000000e-08 8.575083100000000e-31 PASS
9th TDA f 4.588176530000000e-02 4.588262880000001e-02 1.640000000000000e-06 -8.635000000034587e-07 PASS
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