Match Hartree energy
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run intel-serial-debug: [intel2023a-serial] >
Input 07-noncollinear.01-U5-gs.inp
Value | Reference | Precision | Status |
1.636250342000000e+01 | 1.636231627000000e+01 | 2.630000000000000e-04 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)