Hi, I did relax calculation for monolayer Germanene (honeycomb) with about 20 angstrom vacuum between two layers. I did it for single sided hydrogenation. Final relaxed coordinates gave me different values of Ge-H bond length. One was 1.49 angstrom while other was 1.52 angstrom. Buckling length also decreased, while it should not decrease according to previous literature. Is there any error?
Asad
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