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<div>Dear QE users,</div>

<div>&nbsp;</div>

<div>I am using the following input for a test pseudopotential 

generation:</div>

<div>---</div>

<div>&nbsp;&amp;input<br />

&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; iswitch=3,<br />

&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; rlderiv=2.1,<br />

&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; eminld=-11.0,<br />

&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; emaxld=2.0,<br />

&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; deld=0.01d0,<br />

&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; nld=5,<br />

<br />

&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; rel=0,<br />

&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; zed=13.0,<br />

&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; config=&quot;[He] 2s2 2p6 3s2 3p1 

3d-1&quot;<br />

&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; dft='LDA',<br />

&nbsp;/<br />

&nbsp;&amp;inputp<br />

&nbsp;&nbsp; lloc=2,<br />

&nbsp;&nbsp; pseudotype=2,<br />

&nbsp;&nbsp; file_pseudopw='Al.rrkj3_plus_core.UPF',<br />

&nbsp;&nbsp; zval=11.0,<br />

&nbsp;/<br />

5<br />

2S&nbsp; 1&nbsp; 0&nbsp; 2.00&nbsp; 0.00&nbsp; 2.40&nbsp; 2.40<br />

2P&nbsp; 2&nbsp; 1&nbsp; 6.00&nbsp; 0.00&nbsp; 2.40&nbsp; 2.40&nbsp;&nbsp; 

&nbsp;<br />

3S&nbsp; 2&nbsp; 0&nbsp; 2.00&nbsp; 0.00&nbsp; 2.40&nbsp; 2.40<br />

3P&nbsp; 3&nbsp; 1&nbsp; 1.00&nbsp; 0.00&nbsp; 2.40&nbsp; 2.40<br />

3D&nbsp; 3&nbsp; 2&nbsp; 0.00 -0.10&nbsp; 2.40&nbsp; 2.40</div>

<div>---</div>

<div>&nbsp;</div>

<div>I am not sure if I am using correct &quot;nns&quot; values. So, the 

following error message appears:</div>

<div>-----</div>

<div>&nbsp;</div>

<div><font style="font-family:Tahoma;font-size:10pt;">

&nbsp;&nbsp;&nbsp;&nbsp; Computing logarithmic derivative in&nbsp;&nbsp; 

2.09870<br />

<br />

&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; WARNING! Expected number of 

nodes:&nbsp;&nbsp; 1=&nbsp;&nbsp;&nbsp;&nbsp; 2-&nbsp; 0-&nbsp; 1, number of 

nodes found:&nbsp; 0.<br />

&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; Setting wfc to zero for this 

iteration.<br />

&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; (This warning will only be printed once 

per wavefunction)<br />

<br />

<br />

&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; WARNING! Expected number of 

nodes:&nbsp;&nbsp; 1=&nbsp;&nbsp;&nbsp;&nbsp; 3-&nbsp; 1-&nbsp; 1, number of 

nodes found:&nbsp; 0.<br />

&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; Setting wfc to zero for this 

iteration.<br />

&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; (This warning will only be printed once 

per wavefunction)<br />

<br />

<br />

&nbsp;%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br 

/>

&nbsp;&nbsp;&nbsp;&nbsp; from run_pseudo : error 

#&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1<br />

&nbsp;&nbsp;&nbsp;&nbsp; Errors in PS-KS equation<br />

&nbsp;%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br 

/>

<br />

&nbsp;&nbsp;&nbsp;&nbsp; stopping ...<br />

----<br />

</font></div>

<div>&nbsp;</div>

<div>Any comments is highly appreciated.</div>

<div>&nbsp;</div>

<div>Cheers,</div>

<div>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 

Mahmoud</div>

<div>&nbsp;</div>

<div>--------------------------------------------------<br />

Mahmoud Payami<br />

Physics Group, AEOI, Tehran-Iran<br />

E-mail : mpayami@aeoi.org.ir<br />

--------------------------------------------------</div>

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