Input 03-xc.gga_x_pbek1_vdw.inp

Commits > Commit f72050fe95608e153e1887ef05d1ad42dc082fde > Run cuda-mpi-omp: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
gga_x_pbek1_vdw Eigenvalue up -9.700690000000000e-01 -9.701085000000000e-01 4.350000000000000e-05 3.950000000008114e-05 PASS
gga_x_pbek1_vdw Eigenvalue dn -8.195070000000000e-01 -8.195450000000000e-01 4.180000000000000e-05 3.799999999998249e-05 PASS
gga_x_pbek1_vdw Exchange -3.203996700000000e-01 -3.204033250000000e-01 4.020000000000000e-06 3.654999999991304e-06 PASS
gga_x_pbek1_vdw Int[n*v_xc] -4.061264600000000e-01 -4.061309150000000e-01 4.900000000000000e-06 4.454999999958797e-06 PASS
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