Input 03-xc.gga_x_optpbe_vdw.inp

Commits > Commit f1dbe11076ccb3bb542605fe66566061d8720041 > Run spack_foss-2023a_mpi

Matches

Name Value Reference Precision Difference Status
gga_x_optpbe_vdw Eigenvalue up -9.637880000000000e-01 -9.637485000000000e-01 4.340000000000000e-05 -3.949999999997011e-05 PASS
gga_x_optpbe_vdw Eigenvalue dn -8.138290000000000e-01 -8.137915000000000e-01 4.130000000000000e-05 -3.750000000002363e-05 PASS
gga_x_optpbe_vdw Exchange -3.146391500000000e-01 -3.146356050000000e-01 3.900000000000000e-06 -3.544999999993692e-06 PASS
gga_x_optpbe_vdw Int[n*v_xc] -3.998967700000000e-01 -3.998924350000000e-01 4.760000000000000e-06 -4.334999999966449e-06 PASS
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