A question of indices

[BandTheory]

Sorry for the pile of posts, but this question just occurred to me as well.

So there are multiple parts of VNL/ATK that take the indices of atoms as arguments.  The geometrical optimization command and the equivalent atoms argument in the two probe set up come to mind.

Are the indices as simple as their position in the list ?  So if you read down the list of some atoms, the 8th one you count has an index of 7, because, I assume you start at 0.

Also, is it safe to assume that the the nth atom of a list of atoms corresponds to the nth set of coordinates in a list of the atomic coordinates ?

Thanks,

BT

[kstokbro]

Hi,
yes, your assumption about the numbering is correct,  i.e. the numbering is 0,1,2,3,4,...
and coordinates and elements have the same numbering