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<div>Hi,</div>
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<div>I want to simulate the structural changes of a TMD monolayer with respect to external pressure.</div>
<div>I saw the press keyword in the &CELL card and now I am wondering if this approach is valid in the case of two-dimensional (2D) materials, where a large portion of my simulation cell accounts for the vacuum distance to suppress the spurious interaction
of out-of-plane images. Furthermore, I am using <font color="#000000"><span style="caret-color: rgb(0, 0, 0);">cell_dofree = ‘2Dxy’ to keep the vacuum distant constant.</span></font></div>
<div><font color="#000000">Could you elaborate a tiny bit on how this simulation is performed and what the limitations are with respect to my 2D system? </font></div>
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<div><font color="#000000"><span style="caret-color: rgb(0, 0, 0);">Best,</span></font></div>
<div><font color="#000000"><span style="caret-color: rgb(0, 0, 0);">Franz</span></font></div>
<div><font color="#000000"><span style="caret-color: rgb(0, 0, 0);"><br>
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<div>---------------------------------------------------------<br>
MSc. Franz Fischer<br>
Universität Hamburg<br>
HARBOR, Geb. 610<br>
Luruper Chaussee 149<br>
D-22761 Hamburg<br>
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