Input 03-xc.gga_x_dk87_r1.inp

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Run spack_foss-2023a_serial_min

Matches

Name Value Reference Precision Difference Status
gga_x_dk87_r1 Eigenvalue up -9.704600000000000e-01 -9.704200000000001e-01 4.400000000000000e-05 -3.999999999992898e-05 PASS
gga_x_dk87_r1 Eigenvalue dn -8.184030000000000e-01 -8.183650000000000e-01 4.180000000000000e-05 -3.799999999998249e-05 PASS
gga_x_dk87_r1 Exchange -3.202571400000000e-01 -3.202535150000000e-01 4.000000000000000e-06 -3.625000000007095e-06 PASS
gga_x_dk87_r1 Int[n*v_xc] -4.061488000000000e-01 -4.061443300000000e-01 4.940000000000000e-06 -4.469999999978658e-06 PASS
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