Input 03-xc.gga_x_pbek1_vdw.inp

Commits > Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d > Run foss-mpi-debug: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
gga_x_pbek1_vdw Eigenvalue up -9.701480000000000e-01 -9.701085000000000e-01 4.350000000000000e-05 -3.949999999997011e-05 PASS
gga_x_pbek1_vdw Eigenvalue dn -8.195830000000000e-01 -8.195450000000000e-01 4.180000000000000e-05 -3.799999999998249e-05 PASS
gga_x_pbek1_vdw Exchange -3.204070200000000e-01 -3.204033250000000e-01 4.020000000000000e-06 -3.694999999970250e-06 PASS
gga_x_pbek1_vdw Int[n*v_xc] -4.061354200000000e-01 -4.061309150000000e-01 4.900000000000000e-06 -4.505000000043502e-06 PASS
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