Match XCrySDen geometry
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run intel-serial: [intel2023a-serial] >
Input 05-output.02-gs.inp
Value | Reference | Precision | Status |
2.645886000000000e+00 | 2.645886000000000e+00 | 7.130000000000000e-13 | PASS |
Command: LINEFIELD(static/geometry.xsf, 2, 3)