Match Hartree energy
Commits >
Commit e0b7240ece6c1278a2610f2d337090ca4d2c526d >
Run spack_intel-2023a_serial >
Input 10-helium_upf.03-gs_filter_bsb.inp
Value | Reference | Precision | Status |
1.984577640000000e+00 | 1.984576070000000e+00 | 5.000000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)