Match XCrySDen geometry
Commits >
Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 >
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)