I added a gas molecule over the surface of my slab model using the "Put an atom" feature given in BURAI 1.3. However, when I tried running the vc-relax for this structure in quantum espresso, it showed a warning in the output file that the atomic positions of the gas molecule are being ignored. Why is that so? Since I am new to this, can I please get some help regarding how to construct gas adsorption models in quantum espresso?

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