Input 03-xc.gga_xc_hcth_147.inp

Commits > Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 > Run foss-mpi-min: [foss2022a-mpi]

Matches

Name Value Reference Precision Difference Status
gga_xc_hcth_147 Eigenvalue up -9.949320000000000e-01 -9.948920000000000e-01 4.400000000000000e-05 -4.000000000004000e-05 PASS
gga_xc_hcth_147 Eigenvalue dn -8.744210000000000e-01 -8.743814999999999e-01 4.350000000000000e-05 -3.950000000008114e-05 PASS
gga_xc_hcth_147 Correlation -3.445582500000000e-01 -3.445545750000000e-01 4.040000000000000e-06 -3.675000000036288e-06 PASS
gga_xc_hcth_147 Int[n*v_xc] -4.369299300000000e-01 -4.369252250000000e-01 5.180000000000000e-06 -4.705000000049253e-06 PASS
Compare to other inputs