Dear Pascal, have you considered that the X point of the primitive unit cell might refold into the Gamma point of the conventional cell?
Regards, GS P.S.: Could you include your affiliation in your next posts? > If we use this UC we get a indirect band gap (G-X), which is correct. If we > now use the conventional UC (12 atoms in the cube) we get a direct band gap > at Gamma. ? Gabriele Sclauzero, EPFL SB ITP CSEA PH H2 462, Station 3, CH-1015 Lausanne
