Gamma is included in (6 6 1, 0 0 0) or (5 5 1, 0 0 0). And no Gamma point is in (6 6 1, 1 1 0) because (1 1 0) means there are shifts in the first and second directions.
Cyrille Barreteau wrote: > Dear Pwscf users, > > I am doing surface calculations with pw.x and I have a very simple > question concerning the automatic kpoints. I am generating the k points > by the following input: > > K_POINTS automatic > n1 n2 1 0 0 0 > > According to the manuel the code is using MP k points but I am a bit > surprised to find that > the Gamma= 0,0,0 point is always present in the k points list > whatever the > parity of the integers n1 and n2. I was expecting to get the Gamma > point only > when n1 and n2 are odd numbers (for example n1=n2=25). > But I also get the Gamma point when n1 and and n2 are even . > > Is the code really using MP k points or another scheme? > > cyrille
