[Re:01] I encountered an error from the beginning of use,I feel blocked, please help me.

Posted on : June 14, 2017 (Wed) 17:39:05

by Hitoshi GOMI

Hello khadija chafai,

The crystal structure is specified by the combination of a Bravais lattice and a basis.
You set the bcc Bravais lattice, there are two lattice points; (0 0 0) and (1/2 1/2 1/2).
And you put the Fe_1Cu_1 at (0 0 0) position, which is duplicated to (1/2 1/2 1/2) position because of the bcc symmetry.
But you also put the Fe_2Cu_2 at (1/2 1/2 1/2), that is why the collision occurred.

Hitoshi GOMI