Hello,<div><br /></div><div><p style="font-family: "Google Sans Text", sans-serif; line-height: 1.15; margin-top: 0px;">I am using the Martyna-Tuckerman (MT) 2D Poisson solver for a ZnO slab model. With a vacuum buffer of approximately 25 Å or larger, I observe a flat region in the 2D-averaged Hartree potential along the non-periodic <span style="line-height: 1.15; margin-top: 0px;">Z</span>-direction.</p><p style="font-family: "Google Sans Text", sans-serif; line-height: 1.15; margin-top: 0px;">However, right at the very edge of the simulation box, a non-flat artifact appears, which consistently matches the number of layers in the slab. I have tried varying the <span style="line-height: 1.15; margin-top: 0px;">CUTOFF</span>, <span style="line-height: 1.15; margin-top: 0px;">REL_CUTOFF</span>, box size, dipole correction, and <span style="line-height: 1.15; margin-top: 0px;">MT REL_CUTOFF</span>, but this behavior persists.</p><p style="font-family: "Google Sans Text", sans-serif; line-height: 1.15; margin-top: 0px;">Could you please advise if there is a way to fix this boundary artifact (still using MT P solver), and whether this artifact affects the calculated electronic properties of the slab? I have attached some of the graphs in this mail.</p><p style="font-family: "Google Sans Text", sans-serif; line-height: 1.15; margin-top: 0px;">Thank you for your guidance.</p><p style="font-family: "Google Sans Text", sans-serif; line-height: 1.15; margin-top: 0px;">Best regards,</p><p style="font-family: "Google Sans Text", sans-serif; line-height: 1.15; margin-top: 0px;">Samira<img alt="10layer.png" width="534px" height="270px" src="cid:7c5eb0d9-ba32-43aa-a891-de79e62b67de" /><img alt="5Layer.png" width="534px" height="409px" src="cid:6498cd98-1d87-43e0-a92f-5d5c55422b1a" /></p></div>
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