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<div id="divRplyFwdMsg" dir="ltr" class="elementToProof"><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">Dear WIEN2k community</span></div>
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I am trying to add atoms on top of graphene.</div>
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Since it is a weak bond I need to use Non Local Van der Waals functional</div>
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so I add</div>
<div style="direction: ltr;"><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">Grafeno-M.innlvdw</span></div>
<div style="direction: ltr;"><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">and run</span></div>
<div style="direction: ltr;"><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">nohup run -so -p -nlvdw -NI -min -fc 1 &</span></div>
<div style="direction: ltr;"><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">What happens is that when M is above C the system converges.</span></div>
<div style="direction: ltr;"><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">But if M it is put above the C hexagon, then M migrates from one hexagon to the next,
and continues migrating.</span></div>
<div style="direction: ltr;" class="elementToProof"><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">I was expecting it to stop and stabilize above the center of
the C hexagon.</span></div>
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</span></div>
<div style="direction: ltr;"><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">Saludos</span></div>
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</span></div>
<div style="direction: ltr;"><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">Pablo</span></div>
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