Match Hartree energy
Commits >
Commit adb0a770f40b5954f8a07de2fe2e63c9718fe526 >
Run eb_fosscuda-2022a_mpi_omp >
Input 13-primitive.03-bcc_iron.inp
Value | Reference | Precision | Status |
3.271841312000000e+01 | 3.271841312000000e+01 | 1.640000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)