vtmtrinh at caltech.edu wrote: > The Cartesian coordinates that I have are generated from a > different set of primitive vectors:
you can supply your choice of primitive vectors to QE using ibrav=0 and the CELL_PARAMETERS card, as explained in the documentation. You could also modify flib/latgen.f90 so that it generates the primitive vectors you like, but I don't think it is a good idea P. -- Paolo Giannozzi, Democritos and University of Udine, Italy
