ABINIT Discussion Forums

Dear abinit user

I want to do ecut calculation of Bi2Se3, but Abinit give me an error message as following. Also I attached my input file.

Best regards...


chkinp: ERROR -
Atoms number 1 and 3 are located at the same point of the unit cell
(periodic images are taken into account).
Action: change the coordinate of one of these atoms in the input file.

Remove lines 31-34. Abinit will recognize spgroup automatically (if you entered all atoms to xred).

Best wishes, Maxim.