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<p><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);">Dear Jing Lian Ng</span></p>
<p class="elementToProof"><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);">We finished the release just before the holidays, and the package will be soon available
on the website .</span></p>
<p class="elementToProof"><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);">Pietro
<br>
</span></p>
<p><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);"><br>
</span></p>
<div><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);">On 27/12/23 08:34, Jing Lian Ng wrote:</span></div>
<blockquote>
<div style="direction: ltr;"><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);">Hello Dr Delugas,</span></div>
<div style="direction: ltr;"><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);"><br>
</span></div>
<div style="direction: ltr;"><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);">Pardon me if I am not replying to the thread correctly. I checked the QE homepage and
the latest release was only up to v7.2. Did you know where can I compile QE v7.3?</span></div>
<div style="direction: ltr;"><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);"><br>
</span></div>
<div style="direction: ltr;"><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);">Thank you and best regards,</span></div>
<div style="direction: ltr;"><span style="font-family: arial, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);">Jing Lian Ng</span></div>
<div style="direction: ltr;"><span style="font-family: arial, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);">2nd Year PhD Student at University of Texas</span></div>
<span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);"><br>
</span>
<div style="direction: ltr;"><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);">On Mon, Dec 25, 2023 at 7:51 AM Jing Lian Ng <<a href="mailto:jinglian@utexas.edu" id="OWAa0d2a935-3d19-7726-0814-4bbece1793bb" class="moz-txt-link-freetext OWAAutoLink" data-loopstyle="linkonly">jinglian@utexas.edu</a>>
wrote:</span></div>
<blockquote style="margin: 0px 0px 0px 0.8ex; padding-left: 1ex; border-left: 1px solid rgb(204, 204, 204);">
<div style="direction: ltr;"><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);">Hello all,</span></div>
<div style="direction: ltr;"><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);"><br>
</span></div>
<div style="direction: ltr;"><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);">I am performing spin polarized calculation with SCAN functional on nickel oxyhydroxide system
(NiOOH) and ran into convergence issue in my SCF calculation. Dr </span><span style="font-family: arial, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);">Yi-Min Ding reported a similar issue (<a href="https://lists.quantum-espresso.org/pipermail/users/2023-March/050277.html" id="OWA14ec73f6-3c38-0e6b-1ae7-db071255524d" class="moz-txt-link-freetext OWAAutoLink" data-auth="NotApplicable" data-loopstyle="linkonly">https://lists.quantum-espresso.org/pipermail/users/2023-March/050277.html</a>)
and someone suggested that the issue could be due to the pseudos have been generated with PBE and then used with the SCAN functional. I tested NCPP from PseudoDojo library and SG15 library, both resulted in convergence issues when spin-polarized calculation
is enabled. I have include the link for NCPP files from both libraries below, any advice would be appreciated.</span></div>
<div style="direction: ltr;"><span style="font-family: arial, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);"><br>
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<div style="direction: ltr;"><span style="font-family: arial, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);">NCPP for Ni, O and H:</span></div>
<div style="direction: ltr;"><span style="font-family: arial, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);">PseudoDojo:
</span><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);"><a href="http://www.pseudo-dojo.org/" id="OWAb5251185-68cd-8d3b-f0b8-b0fa63ba961d" class="moz-txt-link-freetext OWAAutoLink" data-auth="NotApplicable" data-loopstyle="linkonly">http://www.pseudo-dojo.org/</a></span></div>
<div style="direction: ltr;"><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);">SG15:
<a href="http://quantum-simulation.org/potentials/sg15_oncv/" id="OWA973eca4f-750c-a921-8c06-a72fdb24ea31" class="moz-txt-link-freetext OWAAutoLink" data-auth="NotApplicable" data-loopstyle="linkonly">
http://quantum-simulation.org/potentials/sg15_oncv/</a></span></div>
<div style="direction: ltr;"><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);"><br>
</span></div>
<div style="direction: ltr;"><span style="font-family: arial, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);">Thank you,</span></div>
<div style="direction: ltr;"><span style="font-family: arial, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);">Jing Lian Ng</span></div>
<div style="direction: ltr;"><span style="font-family: arial, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);">2nd Year PhD Student at University of Texas</span></div>
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<pre><div><span style="font-size: 11pt; color: rgb(0, 0, 0);">_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
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