Thank you Prof.  <span style="font-family:arial, sans-serif;font-size:12.5px;border-collapse:collapse">Paolo Giannozzi for your reply.</span><br clear="all"><span style="font-family:arial, sans-serif;font-size:12.5px;border-collapse:collapse"><br>


</span><div><span style="font-family:arial, sans-serif;font-size:12.5px;border-collapse:collapse">&gt;how can you get a &quot;negative rho&quot; problem with norm-conserving PPs?<br><font size="5"><span style="font-size:18px"><font size="4"><span style="font-size:15px"><br>


</span></font></span></font></span></div><div><span style="font-family:arial, sans-serif;font-size:12.5px;border-collapse:collapse">negative rho problem is (must be) with USPP while pseudizing the q functions.</span></div>


<div><span style="font-family:arial, sans-serif;font-size:12.5px;border-collapse:collapse">i am sorry for the incomplete info.</span></div><div><span style="font-family:arial, sans-serif;font-size:12.5px;border-collapse:collapse"><br>


</span></div><div><span style="font-family:arial, sans-serif;border-collapse:collapse"><font size="5"><span style="font-size:18px">&gt;</span></font></span><span style="font-family:arial, sans-serif;font-size:12.5px;border-collapse:collapse">typically you need NLCC when you do not want to include semicore states.</span></div>


<div><span style="font-family:arial, sans-serif;font-size:12.5px;border-collapse:collapse">sometimes we may need both semicore and NLCC like in magnetic properties and lattice </span></div>
<div><span style="font-family:arial, sans-serif;font-size:12.5px;border-collapse:collapse">dynamics of complex oxides(in which an atoms  have different environments</span></div><div><span style="font-family:arial, sans-serif;font-size:12.5px;border-collapse:collapse">depending upon its site symmetry). Anyone having experience  in this regard can</span></div>


<div><span style="font-family:arial, sans-serif;font-size:12.5px;border-collapse:collapse">support my argument. </span></div><div><span style="font-family:arial, sans-serif;font-size:12.5px;border-collapse:collapse"><br>


</span></div><div><span style="font-family:arial, sans-serif;font-size:12.5px;border-collapse:collapse">&gt;Can you generate simpler PPs?</span></div><div><span style="font-family:arial, sans-serif;font-size:12.5px;border-collapse:collapse"> Yes,Sir.</span></div>


<div><span style="font-family:arial, sans-serif;font-size:12.5px;border-collapse:collapse"><br></span></div><div><span style="font-family:arial, sans-serif;font-size:12.5px;border-collapse:collapse">&gt;Have you read the documentation on how to<br>


&gt;generate PPs? </span></div><div><span style="font-family:arial, sans-serif;font-size:12.5px;border-collapse:collapse"><br></span></div><div><span style="font-family:arial, sans-serif;font-size:12.5px;border-collapse:collapse">very well sir.</span></div>


<div><span style="font-family:arial, sans-serif;font-size:12.5px;border-collapse:collapse"><br></span></div><div><span style="font-family:arial, sans-serif;font-size:12.5px;border-collapse:collapse"><br>
</span></div><div><span style="font-family:arial, sans-serif;font-size:12.5px;border-collapse:collapse">&gt;the case of semicore state is mentioned. It is not</span></div><div><span style="font-family:arial, sans-serif;font-size:12.5px;border-collapse:collapse">&gt;trivial.</span></div>


<div><span style="font-family:arial, sans-serif;font-size:12.5px;border-collapse:collapse"><br></span></div><div><span style="font-family:arial, sans-serif;font-size:12.5px;border-collapse:collapse">I am optimistic and will be able to generate required PP.</span></div>


<div><span style="font-family:arial, sans-serif;font-size:12.5px;border-collapse:collapse"><br></span></div><div><span style="font-family:arial, sans-serif;font-size:12.5px;border-collapse:collapse">&gt;the atomic code works, but it cannot do everything, and sometimes it<br>


is hard to generate PPs.<br><span style="font-size:12.5px"><br></span></span></div><div><span style="font-family:arial, sans-serif;font-size:12.5px;border-collapse:collapse"><span style="font-size:12.5px">thank you for keeping my faith in atomic code.</span></span></div>


<div><br></div><div><br></div><div><br></div><div><span style="font-family:arial, sans-serif;font-size:12.5px;border-collapse:collapse"><span style="font-size:12.5px"></span></span>with kind regards,</div>
<div>Sonu</div><div><br></div><div>IITD</div>