Match RDMFT converged energy
Commits >
Commit 9bb80dbc43fc7b1ccbcadf899a686fb8cb0164a9 >
Run eb_fosscuda-2022a_mpi_omp >
Input 06-rdmft.02-gs_basis.inp
Value | Reference | Precision | Status |
-1.150739997400000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | PASS |
Command: GREPFIELD(static/info, 'Total Energy ', 4)