Input 03-xc.gga_xc_mpwlyp1w.inp

Commits > Commit 85779d3dd9ec6e18544835020e079bae8c405b87 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
gga_xc_mpwlyp1w Eigenvalue up -9.855740000000000e-01 -9.856140000000000e-01 4.400000000000000e-05 4.000000000004000e-05 PASS
gga_xc_mpwlyp1w Eigenvalue dn -8.612430000000000e-01 -8.612810000000000e-01 4.180000000000000e-05 3.799999999998249e-05 PASS
gga_xc_mpwlyp1w Correlation -3.344246600000000e-01 -3.344284050000000e-01 4.100000000000000e-06 3.744999999999443e-06 PASS
gga_xc_mpwlyp1w Int[n*v_xc] -4.268781200000000e-01 -4.268828900000000e-01 5.210000000000000e-06 4.769999999987284e-06 PASS
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