Thank you Reza. The problem is solved.
another problem: In some cases (such as Al2O3 unit cell calculation), the program report "this is supercell, fractional translations are ignored". How can force the program to use them. I used "use_all_frac=.true." and set nr1=120, nr2=120,nr3=120 nr1s=60, nr2s=60, nr3s=60, but the problem exist. For Al2O3 I get 6+inversion=12 symmetry operator, while it has 36 symm. op. Regards David Foster Ph.D. Student of Chemistry
