Input 05-output.01-gs-set1.inp

Commits > Commit 584f61e8603689505e758f366f49c21c2e481def > Run foss_mpi_debug_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
step 2 potential files 7.000000000000000e+00 7.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
step 3 density files 4.000000000000000e+00 4.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
step 5 wfs files 2.000000000000000e+00 2.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
step 7 wfs_sqmod files 4.000000000000000e+00 4.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
step 11 geometry files 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
step 13 current files 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
step 17 ELF files 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
step 19 ELF_basins files 3.000000000000000e+00 3.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
step 23 Bader files 3.000000000000000e+00 3.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
step 29 el_pressure files 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
step 31 matrix_elements files 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
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