<div dir="ltr"><div dir="ltr">Hi All,<br><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small"><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small">as
 far as I understand the norm-conserving PAW pseudopotentials (PPs) are 
constructed with the condition that the augmented charge, i.e Q,  = 
<phi | phi> - <phi_tilde | phi_tilde> = 0. However, when I 
look at some of the PPs (listed below) I found that their Qs (PP_Q) are
 not zero. Could anyone tell me why the Qs in these cases are not zero?<br><br><a href="http://www.quantum-espresso.org/pseudo/1.3/UPF/C.pz-kjpaw.UPF">http://www.quantum-espresso.org/pseudo/1.3/UPF/C.pz-kjpaw.UPF</a><br><a href="http://www.quantum-espresso.org/wp-content/uploads/upf_files/Cu.pbe-kjpaw.UPF">http://www.quantum-espresso.org/wp-content/uploads/upf_files/Cu.pbe-kjpaw.UPF</a><br><a href="http://www.quantum-espresso.org/pseudo/1.3/UPF/N.pbe-kjpaw.UPF">http://www.quantum-espresso.org/pseudo/1.3/UPF/N.pbe-kjpaw.UPF</a><br><a href="http://www.quantum-espresso.org/pseudo/1.3/UPF/O.pbe-kjpaw.UPF">http://www.quantum-espresso.org/pseudo/1.3/UPF/O.pbe-kjpaw.UPF</a><br><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small">Best,<br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small">Ryky<br><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small">PS.
 I assume these PPs are norm-conserving because there is information 
about norm_conserving_radius inside them. Let me know if I mistakenly 
understand this.<br clear="all"></div><div dir="ltr"><span><font color="#666666"><br></font></span></div><div dir="ltr"><font color="#666666"><br></font></div></div><div><div class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><font color="#666666" size="1">--------------------------------------------</font></div><div dir="ltr"><font color="#666666" size="1">Ryky Nelson<br>Institut für Anorganische Chemie<br>RWTH Aachen University</font><br></div></div></div></div></div></div></div></div></div></div>
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