lock_abc -cell aspect ratio control variable
DESCRIPTION
The lock_abc variable is used to lock selectively the dimensions of the unit cell (a,b,c) during optimizations of the cell dimensions. If lock_abc is set to T, only global scalings of the unit cell are allowed, i.e. the aspect ratio of the unit cell is kept fixed. If lock_abc is set to F (the default), the cell dimensions a, b, c can all vary independently. If lock_abc is set to A, only b and c are allowed to vary. If lock_abc is set to AB, only c is allowed to vary. Similar definitions hold for B, C, BC, and AC.
DEFAULT VALUE
F
ALLOWED VALUES
T, F, A, B, C, AB, BC, AC
RELATED INFORMATION