Match Hartree energy
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
Run intel_mpi_omp_autotools: [intel2022a-mpi] >
Input 13-primitive.01-diamond.inp
Value | Reference | Precision | Status |
1.000006560000000e+00 | 1.000000000000000e+00 | 5.000000000000000e+00 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)