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<div class="moz-cite-prefix">Dear Rakesh,</div>
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<div class="moz-cite-prefix">the ENVIRON libraray can do that:<br>
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<div class="moz-cite-prefix"><a class="moz-txt-link-freetext" href="http://www.quantum-environ.org">http://www.quantum-environ.org</a><br>
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<div class="moz-cite-prefix">Note that interesting and important
effects could come from the interface states of the perovskites,
though, and so a continuum model might not be enough - it also
depends if you care about the interface with a liquid, or with a
solid.</div>
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<div class="moz-cite-prefix"> nicola<br>
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<div class="moz-cite-prefix">On 26/12/2020 16:12, Rakesh Pradhan
wrote:<br>
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<blockquote type="cite"
cite="mid:CAO+WMU-kn0brxxePnKtUs+3TZuM36Cw84T8PkoV_JU6h7RySLg@mail.gmail.com">
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<div dir="ltr">Dear All,
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<div>I am currently studying perovskite interfaces. I want to
replace the vacuum of my simulation cell with materials of
different permittivity and calculate their density of states.
I'm aware that this can be achieved by creating interfaces of
different materials with perovskites, however, my
perovskite system is very large and I want to
avoid additional atoms.</div>
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<div>Is there any code which can replace the vacuum with a
virtual material of different permittivity?</div>
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-- <br>
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data-smartmail="gmail_signature">
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<div dir="ltr"><span
style="font-weight:700;background-color:transparent"><font
color="#38761d">THANKS & REGARDS</font></span>
<div
style="font-stretch:normal;font-size:13.33px;line-height:19.99px;background-color:transparent;overflow:visible"><b><br>
</b></div>
<div
style="font-stretch:normal;font-size:13.33px;line-height:19.99px;background-color:transparent;overflow:visible"><b>Rakesh
Rosan Pradhan</b></div>
<div
style="font-stretch:normal;font-size:13.33px;line-height:19.99px;overflow:visible"><font
color="#0b5394"><b>PhD Scholar</b></font></div>
<div
style="font-stretch:normal;font-size:13.33px;line-height:19.99px;overflow:visible"><font
color="#0b5394"><b>Applied Physics</b></font></div>
<div
style="font-stretch:normal;font-size:13.33px;line-height:19.99px;overflow:visible"><font
color="#0b5394"><b>King Abdullah University of
Science & Technology (KAUST)</b></font></div>
</div>
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