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Dear QE Devs/Users,</div>
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I am a newbie to QE / DFT simulations in solids.</div>
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<span style="font-family: Aptos, "Aptos_EmbeddedFont", "Aptos_MSFontService", Calibri, Helvetica, sans-serif;">For my project, I need to implement the
<code>optPBE-vdW </code></span><span style="font-family: "Aptos", "Aptos_EmbeddedFont", "Aptos_MSFontService", "Calibri", "Helvetica", sans-serif;"><code style="font-family: "Aptos", "Aptos_EmbeddedFont", "Aptos_MSFontService", "Calibri", "Helvetica", sans-serif;">functional
as it agrees well the experimental structures of ice and ionic hydrates</code></span><span style="font-family: Aptos, "Aptos_EmbeddedFont", "Aptos_MSFontService", Calibri, Helvetica, sans-serif;"><code>.</code></span></div>
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I noticed that functionals such as <code>optB88-vdW</code> and <code>optB86b-vdW</code> are available through corresponding nametags in
<code>funct.f90</code>, but I could not find a similar implementation for <code>optPBE-vdW</code>.</div>
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Since optPBE-vdW uses a specific PBE/RPBE exchange mixing (~94.5:5.5) with modified (\mu) and (\kappa) parameters for the GGA enhancement factor, I wanted to ask whether optPBE-vdW is already available in QE under another identifier, or if there is a recommended
way to implement it within Quantum ESPRESSO.</div>
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Thank you for your time and assistance.</div>
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Best regards,<br>
Aritra</div>
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