Match nuclei-solvent int. energy
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run ppc: [foss2023a-serial] >
Input 20-pcm-local-field-absorption.01-gs.inp
Value | Reference | Precision | Status |
-3.120000000000000e-05 | -3.110000000000000e-05 | 1.560000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'E_n-solvent =', 3)