LAYER_STACK_VERTICAL

LAYER_STACK_VERTICAL defines whether the interlayer vectors of non-bulk layers in the AUXGEO file (input to the underlying TensErLEED program) are parallel to z (if True) or parallel to the c vector of the input unit cell (if False). In this file, the atom coordinates per layer will change accordingly.

This parameter is for debugging only, it does not affect the result of the calculation.

Default: LAYER_STACK_VERTICAL = True (layer stacking along z, all single atom coordinates given relative to lowest non-bulk layer)

Syntax:

LAYER_STACK_VERTICAL = False

Acceptable values (not case sensitive): True, False, T, F, Z (=True), C (=False)

LAYER_STACK_VERTICAL = True makes it easier to recognize the overall arrangement of atoms from the atom coordinates. However, LAYER_STACK_VERTICAL = False can make mostly equivalent layers more easily comparable in the AUXGEO file.