On Apr 4, 2009, at 20:13 , Derek Stewart wrote: > warning: symmetry operation # 2 not allowed. fractional > translation: > -0.4999997 0.5000000 0.4999996 in crystal coordinates > [...] > I did however want to confirm that it will not have any effect on > the band > symmetry analysis that is performed with bands.x when lsym=.true. (ie > thinking the system has a lower symmetry than it actually does).
it will: the code will assume a lower symmetry than the true one (unless you are dealing with a supercell, where "fractional" is not really fractional; if the code recognizes that there is a fractional translation in a supercell, it should disable their usage, though) Paolo --- Paolo Giannozzi, Democritos and University of Udine, Italy
