Match XCrySDen geometry
Commits >
Commit f1dbe11076ccb3bb542605fe66566061d8720041 >
Run spack_foss-2022a_serial_min >
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)