Input 03-xc.gga_x_pbek1_vdw.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2023a_serial_min

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 -3.204069700000000e-01 -3.204033250000000e-01 4.020000000000000e-06 -3.644999999996568e-06 PASS
gga_x_pbek1_vdw Int[n*v_xc] -4.061353500000000e-01 -4.061309150000000e-01 4.900000000000000e-06 -4.435000000024836e-06 PASS
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