2,684
edits
IDXREF.LP: Difference between revisions
Jump to navigation
Jump to search
→Determination of the reciprocal lattice basis
| Line 87: | Line 87: | ||
From the difference vectors, the "reduced cell" (essentially a P1 cell, with a<b<c) has been established, together with its axes and angles. Furthermore the relation of the reciprocal cell axes (found in the beginning) with respect to the reduced cell is given. If the user supplies UNIT_CELL_CONSTANTS (and SPACE_GROUP_NUMBER >0 ) then these are converted to a reduced cell and given here. | From the difference vectors, the "reduced cell" (essentially a P1 cell, with a<b<c) has been established, together with its axes and angles. Furthermore the relation of the reciprocal cell axes (found in the beginning) with respect to the reduced cell is given. If the user supplies UNIT_CELL_CONSTANTS (and SPACE_GROUP_NUMBER >0 ) then these are converted to a reduced cell and given here. | ||
'''If the difference vectors are not (close to) integers, something is wrong''' - see [[Problems]]. | |||
== Results from local indexing == | == Results from local indexing == | ||