Match comparison for Total Energy (match type 29230)
Commits >
Commit a02211b136400868a3f91e422c586cb9ab194975 >
Input 21-qedft-breit-3d.02-pxlda-helium.inp
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
-2.842310980000000e+00 | 1.420000000000000e-07 | -2.842310980000000e+00 | 0.000000000000000e+00 | -2.842310980000000e+00 | 0.000000000000000e+00 | PASS |
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Detailed information
Reference: -2.84231098, precision: 0.000000142Run | Value | Difference | Relative difference | Status |
foss-cmake-zen4: [foss2023a-serial, foss-full] | -2.842310980000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss-cmake-zen4: [foss2023a-serial, foss-min] | -2.842310980000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |