<div>The atom is chosen when the PAW dataset is generated, it is written in the file and does not change. Have a look at the pseudopotential generation guide: <a href="https://link.getmailspring.com/link/93D1D744-439F-47C2-8DFB-82DEB5FDBBA1@getmailspring.com/0?redirect=https%3A%2F%2Fwww.quantum-espresso.org%2FDoc%2Fpseudo-gen.pdf&recipient=dXNlcnNAbGlzdHMucXVhbnR1bS1lc3ByZXNzby5vcmc%3D" title="https://www.quantum-espresso.org/Doc/pseudo-gen.pdf">https://www.quantum-espresso.org/Doc/pseudo-gen.pdf</a><br></div><div>kind regards</div><div><signature id="local-80497166-1ed1">--<br><span style="font-size:0.9em;color:gray;">Lorenzo Paulatto - Paris<span></span></span></signature></div><div class="gmail_quote_attribution">On Nov 16 2021, at 10:57 pm, Salman Zarrini <salman.zarrini@gmail.com> wrote:</div><blockquote><div><div><div><div><div><div><div>Dear all, </div></div><div><br></div><div>I wonder how the projected augmented wave (PAW) sphere/radius is indicated/calculated for atoms in the crystal under study in the PAW methods in general and in quantum espresso in particular?</div><div><br></div><div>Regards,</div><div>Salman</div><div><br></div></div></div></div></div></div><div>_______________________________________________</div><div>Quantum ESPRESSO is supported by MaX (www.max-centre.eu)</div><div>users mailing list users@lists.quantum-espresso.org</div><div>https://lists.quantum-espresso.org/mailman/listinfo/users</div></blockquote><img class="mailspring-open" alt="Sent from Mailspring" width="0" height="0" style="border:0; width:0; height:0;" src="https://link.getmailspring.com/open/93D1D744-439F-47C2-8DFB-82DEB5FDBBA1@getmailspring.com?me=ca1a67e4&recipient=dXNlcnNAbGlzdHMucXVhbnR1bS1lc3ByZXNzby5vcmc%3D">