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<div>Dear QE users,</div>
<div> </div>
<div>I am using the following input for a test pseudopotential
generation:</div>
<div>---</div>
<div> &input<br />
iswitch=3,<br />
rlderiv=2.1,<br />
eminld=-11.0,<br />
emaxld=2.0,<br />
deld=0.01d0,<br />
nld=5,<br />
<br />
rel=0,<br />
zed=13.0,<br />
config="[He] 2s2 2p6 3s2 3p1
3d-1"<br />
dft='LDA',<br />
/<br />
&inputp<br />
lloc=2,<br />
pseudotype=2,<br />
file_pseudopw='Al.rrkj3_plus_core.UPF',<br />
zval=11.0,<br />
/<br />
5<br />
2S 1 0 2.00 0.00 2.40 2.40<br />
2P 2 1 6.00 0.00 2.40 2.40
<br />
3S 2 0 2.00 0.00 2.40 2.40<br />
3P 3 1 1.00 0.00 2.40 2.40<br />
3D 3 2 0.00 -0.10 2.40 2.40</div>
<div>---</div>
<div> </div>
<div>I am not sure if I am using correct "nns" values. So, the
following error message appears:</div>
<div>-----</div>
<div> </div>
<div><font style="font-family:Tahoma;font-size:10pt;">
Computing logarithmic derivative in
2.09870<br />
<br />
WARNING! Expected number of
nodes: 1= 2- 0- 1, number of
nodes found: 0.<br />
Setting wfc to zero for this
iteration.<br />
(This warning will only be printed once
per wavefunction)<br />
<br />
<br />
WARNING! Expected number of
nodes: 1= 3- 1- 1, number of
nodes found: 0.<br />
Setting wfc to zero for this
iteration.<br />
(This warning will only be printed once
per wavefunction)<br />
<br />
<br />
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br
/>
from run_pseudo : error
# 1<br />
Errors in PS-KS equation<br />
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br
/>
<br />
stopping ...<br />
----<br />
</font></div>
<div> </div>
<div>Any comments is highly appreciated.</div>
<div> </div>
<div>Cheers,</div>
<div>
Mahmoud</div>
<div> </div>
<div>--------------------------------------------------<br />
Mahmoud Payami<br />
Physics Group, AEOI, Tehran-Iran<br />
E-mail : mpayami@aeoi.org.ir<br />
--------------------------------------------------</div>
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