Input 03-xc.gga_x_xpbe.inp

Commits > Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 > Run cmake_foss_2022a_full_mpi

Matches

Name Value Reference Precision Difference Status
gga_x_xpbe Eigenvalue up -9.711850000000000e-01 -9.711455000000000e-01 4.340000000000000e-05 -3.949999999997011e-05 PASS
gga_x_xpbe Eigenvalue dn -8.199510000000000e-01 -8.199130000000000e-01 4.180000000000000e-05 -3.799999999998249e-05 PASS
gga_x_xpbe Exchange -3.207306500000000e-01 -3.207269800000000e-01 4.040000000000000e-06 -3.670000000011164e-06 PASS
gga_x_xpbe Int[n*v_xc] -4.070389000000000e-01 -4.070344200000000e-01 4.930000000000000e-06 -4.479999999973394e-06 PASS
Compare to other inputs