[Pw_forum] Problems with generation of GGA pseudopotential for Rb

[Natalia Pavlenko]

Dear users,

I am trying to build a GGA-type pseudopotential (pbe or PW91)
for Rb, but experience problems. I would be very grateful for any
advice, below I attach my input code for generation of
pbe-pseudopotential for Rb and the output reports of the errors.
Thanks in advance for any possible help,

N.Pavlenko

Institute for Condensed Matter Physics,
Lviv, Ukraine 

-------------------- input for generation of Rb pseudopotential--- 
&input
        title='Rb',
        zed=37.0,
        rel=0,
        lsd=0,
        iswitch=3,
        rlderiv=1.80,
        eminld=-2.0,
        emaxld=2.0,
        deld=0.01,
        nld=2,
        config='[Ar] 3d10 4s2 4p6 5s1 5p-1.0',
        dft='PBE'
/
&inputp
        pseudotype=3,
        lloc=0,
        file_pseudopw='Rb_pbe.UPF'
        rcloc=2.5,
        rcore=2.2
/
4
4S  1  0  2.00  0.00  1.80  1.80
4P  2  1  6.00  0.00  2.20  2.20
5P  2  1  0.00  0.10  2.00  2.00
5S  1  0  1.00  0.00  1.80  1.80
--------------------------------

---output file with error warning---------------------

--------------------- Generating US pseudopotential

      Generating local pot.: lloc=0, matching radius rcloc =   1.8000


      Wfc   4S  rcut= 1.802  Estimated cut-off energy=       39.82 Ry
      This function has    0 nodes for 0 < r <    1.802
           0        1220        1219   100.895173059079
     
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from compute_chi : error #         1
     n is too large
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     
     stopping ...
---------------------------