Input 06-rdmft.01-ip.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
IP energy -1.847581610000000e+00 -1.847581610000000e+00 9.239999999999999e-08 0.000000000000000e+00 PASS
IP eigenvalue -1.272390000000000e+00 -1.272390000000000e+00 6.360000000000000e-06 0.000000000000000e+00 PASS
Compare to other inputs