[Pw_forum] Ce pseudo generation

[Nany]

I corrected my input,but even i have some problems
I want to generate a norm-conserving Ce pseudo with 12 valence electrons.
My in input files is:


&input                                          !This namelist is always
needed
        iswitch = 3,                             !generation of a
pseudopotential

        rlderiv =  2.2,                          !radius (a.u.) at which
"nld" log derivatives are calculated
        eminld  = -4.0,                          !in an energy delimited by
the ranges eminld and emaxld
        emaxld  =  4.0,
        deld    =  0.01d0,                       !a grid with spacing,energy
in Ry
        nld     =  4,                            !the number of logarithmic
derivatives to be calculated:s,p,d and f log derivatives are calculated

        rel     =  1,                            !scalar relativistic
calculation
        zed     =  58.0,                         !Ce atomic number
        config  =  '[Xe] 4f1 5d1 6s2',           !Ce ground state electronic
configuration
        dft     =  'LDA',                        !Exchange-correlation
functional
        prefix  =  'test2'
 /
 &inputp
        lloc    =  0,                            !Angular momentum of the
local channel.
     pseudotype =  2,                            !the type of
pseudopotential:multiple-projector PP in separable form
  file_pseudopw =  'Ce.nany.UPF',                !The name of the new
pseudo.Due to the name is terminated in UPF,the file is written in UPF
format.
           zval =12.0,                           !the number of valence
electrons
 /
5      !list of states to be pseudized,with corresponding pseudization
energies and matching radii.
4F  4  3  1.00   0.00000000000      2.20000000000     2.20000000000
5S  1  0  2.00   0.00000000000      2.20000000000     2.20000000000
5D  3  2  1.00   0.00000000000      2.20000000000     2.20000000000
5P  2  1  6.00   0.00000000000      2.00000000000     2.00000000000
6S  1  0  2.00   0.00000000000      2.20000000000     2.20000000000

The problem in the output file is:

  ------------------------ End of All-electron run ------------------------

     Computing logarithmic derivative in   2.18874

       WARNING! Expected number of nodes:   0=     4-  3-  1, number of
nodes found:  1.
       Setting wfc to zero for this iteration.
       (This warning will only be printed once per wavefunction)


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


       WARNING! Expected number of nodes:   0=     3-  2-  1, number of
nodes found:  1.
       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 ...


Which is the problem?

Thanks very much

Yanaris Ortega Garcia
Phd Student
Department of Chemistry-Physics
University of Seville
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