ATC: WARNING: Cannot get number of atoms per cell from lattice

Dear all

I am new user to ATC package, I want to calculate J. integral for pre-cracked iron using eshelby stress. I follow same procedures as explained in (in.eshelby_stress) given in example directory. My question is,

when I read the initial configuration from data file I got this warning

ATC: WARNING: Cannot get number of atoms per cell from lattice

why I got such warning and does this warning affect my J.integral calculation?

Regards

Tamer

I’m passing this along to the ATC folks.

Steve

The ATC package uses lattices to compute the approximate atomic “volume” used in the finite element quadrature. This warning means that you have not specified a lattice in your input deck. If you are using other commands to specify the atomic volume, you are fine. If not, I’d suggest using one of them, specifying a lattice, or using a number-density formulation.
Jeremy

Thank you very much all.

Regards

Tamer