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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:</div>
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Error in routine esm_stress_ewg_bc2 (1):
FIXME: expm used but not defined
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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<span style="color: rgb(0, 0, 0);">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.</span></div>
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Thanks</div>
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