[Pw_forum] correct values for "nns"

[Mahmoud Payami Shabestari]

Dear QE users,

I am using the following input for a test pseudopotential generation:
--- &input
        iswitch=3,
        rlderiv=2.1,
        eminld=-11.0,
        emaxld=2.0,
        deld=0.01d0,
        nld=5,

        rel=0,
        zed=13.0,
        config="[He] 2s2 2p6 3s2 3p1 3d-1"
        dft='LDA',
 /
 &inputp
   lloc=2,
   pseudotype=2,
   file_pseudopw='Al.rrkj3_plus_core.UPF',
   zval=11.0,
 /
5
2S  1  0  2.00  0.00  2.40  2.40
2P  2  1  6.00  0.00  2.40  2.40    
3S  2  0  2.00  0.00  2.40  2.40
3P  3  1  1.00  0.00  2.40  2.40
3D  3  2  0.00 -0.10  2.40  2.40
---

I am not sure if I am using correct "nns" values. So, the following error 
message appears:
-----

Computing logarithmic derivative in   2.09870

       WARNING! Expected number of nodes:   1=     2-  0-  1, number of 
nodes found:  0.
       Setting wfc to zero for this iteration.
       (This warning will only be printed once per wavefunction)


       WARNING! Expected number of nodes:   1=     3-  1-  1, number of 
nodes found:  0.
       Setting wfc to zero for this iteration.
       (This warning will only be printed once per wavefunction)


 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from run_pseudo : error #         1
     Errors in PS-KS equation
 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...
----

Any comments is highly appreciated.

Cheers,
Mahmoud

--------------------------------------------------

Mahmoud Payami

Physics Group, AEOI, Tehran-Iran

E-mail : mpayami at aeoi.org.ir

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