Input 03-xc.gga_x_xpbe.inp

Commits > Commit babc485c55a2119a415aa56305cb49f398154cb7 > Run spack_foss-2023a_serial_min

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 -3.207306300000000e-01 -3.207269800000000e-01 4.040000000000000e-06 -3.650000000021691e-06 PASS
gga_x_xpbe Int[n*v_xc] -4.070388800000000e-01 -4.070344200000000e-01 4.930000000000000e-06 -4.459999999983921e-06 PASS
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