Input 22-xc_lrx.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
LRX Eigenvalue -3.729570000000000e-01 -3.729570000000000e-01 1.860000000000000e-05 0.000000000000000e+00 PASS
LRX Exchange -5.516894800000000e-01 -5.516894800000000e-01 2.760000000000000e-08 0.000000000000000e+00 PASS
LRX Correlation -9.387151000000001e-02 -9.387151000000001e-02 4.690000000000000e-07 0.000000000000000e+00 PASS
LRX Int[n*v_xc] -8.396877500000000e-01 -8.396877500000000e-01 4.200000000000000e-07 0.000000000000000e+00 PASS
LRX Total -1.136122100000000e+00 -1.136122100000000e+00 5.680000000000000e-09 2.220446049250313e-16 PASS
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