Dear siesta users For 20 atoms in unit cell we want to constrain all atoms moves in all directions except for atoms number 11 and 16 that are fixes just in x and y directions and are free to move in z direction.
W use this block GeometryConstraints in fdf input file %block GeometryConstraints position from -1 to -10 position from -12 to -15 position from -17 to -20 center 11 16 1.0 0.0 0.0 center 11 16 0.0 1.0 0.0 %endblock GeometryConstraints is it true? *Thanks in advance*
