Match nuclei-solvent int. energy
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run intel-serial: [intel2023a-serial] >
Input 20-pcm-local-field-absorption.01-gs.inp
Value | Reference | Precision | Status |
-3.109000000000000e-05 | -3.110000000000000e-05 | 1.560000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'E_n-solvent =', 3)