[QE-developers] ESM error

[Tanay Sahu]

I am trying to do charged surface calculations using Quantum Espresso/7.3.1. I have a copper slab and am trying to adsorb CO2 molecule on one of the adsorption sites. Later, I will compare the adsorption energies in the presence and absence of charge. But when I am trying to do ESM with the "bc3" boundary condition, I get the following error:

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine esm_stress_ewg_bc2 (1):
     FIXME: expm used but not defined
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%


I could not figure out the source of this error. I am using all the necessary tags required for it. The input file is attached for reference. I would appreciate any suggestions regarding it.

Thanks

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