grid-based

Settings for GRID-based methods

STEPS = the number of steps in all dimensions for GRID-based methods
STEP1= the number of steps in the dimension a
STEP2= the number of steps in the dimension b
STEP3= the number of steps in the dimension c
STEP4= the number of steps in the dimension alpha
STEP5= the number of steps in the dimension beta
STEP6= the number of steps in the dimension gamma
(default value is STEPS)

Configurations in GRID1 are searched as arithmetic sequence, steps should be close to 0.0:
Configurations in GRID2 and GRID3 are searched as geometric sequence (so steps should be close to 1.0),
Exceptions:

• monoclinic and GRID1 for parameter beta
• monoclinic and GRID2 for parameter a12
• triclinic and method GRID2 parameters alpha, beta, gamma

DELTA_LATTICE=step in dimensions a,b,c only for GRID1
DELTA_ANGLE=step in dimensions alpha, beta, gamma only for GRID1