Input 03-xc.gga_xc_hcth_93.inp

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Run cmake_foss_2022a_min_mpi

Matches

Name Value Reference Precision Difference Status
gga_xc_hcth_93 Eigenvalue up -9.920270000000000e-01 -9.919875000000000e-01 4.340000000000000e-05 -3.949999999997011e-05 PASS
gga_xc_hcth_93 Eigenvalue dn -8.744640000000000e-01 -8.744250000000000e-01 4.290000000000000e-05 -3.900000000001125e-05 PASS
gga_xc_hcth_93 Correlation -3.447108700000000e-01 -3.447071250000000e-01 4.120000000000000e-06 -3.744999999999443e-06 PASS
gga_xc_hcth_93 Int[n*v_xc] -4.346147200000000e-01 -4.346100900000000e-01 5.090000000000000e-06 -4.630000000005463e-06 PASS
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