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<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt">Hi all,<br>
<br>
I apologise in advance if the question has been asked.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:12.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt">When I run rmc, it will prompt the error in the picture below.</span><span lang="EN-US" style="font-size:11.0pt;color:black;background:whitesmoke">
</span><span lang="EN-US" style="font-size:11.0pt">The system I calculated was CeO2 nanoparticles with a size of 5nm.</span><span lang="EN-US" style="font-size:11.0pt;color:black;background:whitesmoke">
</span><span lang="EN-US" style="font-size:11.0pt">Because nanobox defaults to [4 4 4], so I get the rmc6f file<br>
Cell (Ang/deg): 200.000000 200.000000 200.000000 90.000000 90.000000 90.000000.<br>
Lattice vectors (Ang):<br>
200.000000 0.000000 0.000000<br>
0.000000 200.000000 0.000000<br>
0.000000 0.000000 200.000000<br>
<br>
<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt">I suspect it has something to do with the size of the model.</span><span lang="EN-US" style="font-size:11.0pt;color:black;background:whitesmoke">
</span><span lang="EN-US" style="font-size:11.0pt">Because when I set the nanobox to [1 1 1], the upper value is 50 Angstrom, and it can run normall</span><span lang="EN-US" style="font-size:11.0pt;font-family:"DengXian Light"">y.</span><span lang="EN-US" style="font-size:13.5pt;font-family:""",serif">
</span><span lang="EN-US" style="font-size:11.0pt">But this will not eliminate the impact of periodic boundaries. Is this something I missed important?<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt">Thanks,<br>
WeiHua Ji<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;color:black;background:whitesmoke">University of Science and Technology Beijing</span><span lang="EN-US" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:12.0pt;font-family:SimSun"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"><img width="707" height="469" style="width:7.3645in;height:4.8854in" id="ͼƬ_x0020_3" src="cid:image002.png@01D63C36.BDC3E1C0"></span><span lang="EN-US" style="font-size:12.0pt;font-family:SimSun"><o:p></o:p></span></p>
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