Respected Sir,

My problem is that according to the second basis there is no correct atomic coordinates. I mean the basis 0 0 0 gives me the right one but the basis 0.5 0.2886 0 does not. My second issue is that why the following lattice command gives the collinear errors:

lattice custom 1.414 a1 1 0 0 and a2 -1/2 sqrt(3)/2 0 basis 0 0 0 basis 1/2 sqrt(3)/6 0. Form numerical point of view there is little difference.

Thanking you.

apurba