<div dir="auto"><div dir="auto">Dear</div><div dir="auto"><br></div><div dir="auto">First do scf calculations at different lattice constants around the equilibrium and write the lattice constants and the corresponding energies in. dat format. Then run the code ev.x</div><div dir="auto">$espresso_directory/bin/ev.x</div><div dir="auto"><br></div><div dir="auto">With regards,</div><div dir="auto"><br></div><div dir="auto">Shiferaw G.</div><div dir="auto"><br></div><div dir="auto"><br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, 2 Jun 2020, 4:36 pm Inna Nangoi, <<a href="mailto:inna.nangoi@mmk.su.se">inna.nangoi@mmk.su.se</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
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<p><font face="Helvetica, serif, EmojiFont"><span style="font-size:12px">Than you </span></font><font face="Helvetica, serif, EmojiFont"><span style="font-size:12px">Willem. But I need to know the equation in quantum espresso to write the methodology. This
question was already answered .</span></font><br>
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<div id="m_6676827517689219748divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>From:</b> users <<a href="mailto:users-bounces@lists.quantum-espresso.org" target="_blank" rel="noreferrer">users-bounces@lists.quantum-espresso.org</a>> on behalf of Offermans Willem <<a href="mailto:willem.offermans@vito.be" target="_blank" rel="noreferrer">willem.offermans@vito.be</a>><br>
<b>Sent:</b> 02 June 2020 14:50:27<br>
<b>To:</b> Quantum ESPRESSO users Forum<br>
<b>Subject:</b> Re: [QE-users] ev.x - Murnaghan EOS</font>
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<div>Dear Inna,</div>
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<div>I’m sorry I don’t know about Murnaghan EOS for Quantum Espresso.</div>
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<div>But it would be something I would expect i.c.w. AES.</div>
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<div>And indeed:</div>
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<div><a href="https://wiki.fysik.dtu.dk/ase/ase/eos.html?highlight=eos#module-ase.eos" target="_blank" rel="noreferrer">https://wiki.fysik.dtu.dk/ase/ase/eos.html?highlight=eos#module-ase.eos</a></div>
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<div>Of course you can use Quantum Espresso as a calculator in AES.</div>
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Met vriendelijke groeten,</div>
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Mit freundlichen Grüßen,</div>
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With kind regards,</div>
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Willem Offermans</div>
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<blockquote type="cite">
<div>On 2 Jun 2020, at 10:28, Inna Nangoi <<a href="mailto:inna.nangoi@mmk.su.se" target="_blank" rel="noreferrer">inna.nangoi@mmk.su.se</a>> wrote:</div>
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<div style="margin-top:0px;margin-bottom:0px">Dear all,</div>
<div style="margin-top:0px;margin-bottom:0px"><br>
</div>
<div style="margin-top:0px;margin-bottom:0px">I was searching in ev.f90 for the Murnaghan EOS but I did't find it. Does anyone knows how it is written in quantum espresso code?</div>
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<div style="margin-top:0px;margin-bottom:0px">Thank you in advance,</div>
<div style="margin-top:0px;margin-bottom:0px"><br>
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<div style="margin-top:0px;margin-bottom:0px">Inna</div>
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