Input 03-xc.gga_x_b88.inp

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Run spack_foss-2022a_mpi_opt

Matches

Name Value Reference Precision Difference Status
gga_x_b88 Eigenvalue up -9.713360000000000e-01 -9.712959999999999e-01 4.400000000000000e-05 -4.000000000004000e-05 PASS
gga_x_b88 Eigenvalue dn -8.205460000000000e-01 -8.205080000000000e-01 4.180000000000000e-05 -3.799999999998249e-05 PASS
gga_x_b88 Exchange -3.228365300000000e-01 -3.228328750000000e-01 4.020000000000000e-06 -3.654999999991304e-06 PASS
gga_x_b88 Int[n*v_xc] -4.072782000000000e-01 -4.072737350000000e-01 4.900000000000000e-06 -4.465000000009045e-06 PASS
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