Stress in Environ

[BCAyers2000]

Hi all,

I'm wondering if Environ can handle stress calculations for vc-relax as I am trying to monitor lattice parameter changes under voltage.

I've tried running it, but it fails without any warning. It completes the initial SCF and calculates the initial stress and forces, but then crashes before moving on to the next SCF. Here's the error message I'm getting:

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine update_environ_charges (1):
Inconsistent integral of total charge
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

I couldn't find any Environ/dielectric contribution to stress in the output file. If this type of calculation isn't supported, would it be possible to add a warning so it fails immediately with a more descriptive error?

On the other hand, if Environ is capable of such calculations, could you provide some guidance on the correct setup?

Thanks for all your help and ongoing work on this!
Best,
Brad