[Pw_forum] PP by atomic.x

[Karoly Nemeth]

Hi,

I am trying to reproduce Ru.pbe-n-van.UPF from the PP library of PWSCF, by 
atomic.x. I am constantly getting an error message "phi has nodes before 
r_c" while I am using the same parameters as what is given in the library 
file provided (my input file for atomic.x is attached).
Can someone please help me with this issue? I have used version 4.0.4 of QE.
Thanks:

Karoly

***********************************************************************
Karoly Nemeth, Ph.D.
Argonne National Laboratory
9700 S. Cass Ave. Argonne, IL 60439.
Advanced Photon Source
Accelerator Physics and Operations Group
Building 401, Room B2200
Tel. 630-252-5813
Fax: 630-252-4732
***********************************************************************

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 &input
        title='Ru',
        zed=44.0,
        rel=1,
        iswitch=3,
        rlderiv=2.50,
        eminld=-4.0,
        emaxld=4.0,
        nld=5,
        deld=0.02,
        isic=0,
        config='[Kr] 4d7 5s1 5p0',     
        dft='PBE'   
 /
 &inputp
        pseudotype=3,
        lloc=1,
        file_pseudopw='RuScRel.UPF',
        nlcc=.true.,
 /
3
4D  4  2  7.00   0.0  2.00  2.00 
5S  5  0  1.00   0.0  2.40  2.40
5P  5  1  0.00   0.0  2.40  2.40