[Pw_forum] pp help needed

[TIMOTHY UTO]

please am trying to generate PP for one of the example in the input obtain and it was giving me an error message after running for some time

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     task #         0
     from new_paw_hamiltonian : error #         1
     negative rho
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 the input file is shown below
 &input
    title='Si'
    !prefix='Si/ld1',
      zed=14,
    config='[Ne] 3s2 3p2 3d-2'
    iswitch=3,
    dft='PBE'
    nld=3,
        eminld=-4,
        emaxld=4,
        deld=0.01d0,
        rlderiv=1.85,
 /
 &inputp
   pseudotype=3,
   nlcc=.true.,
     new_core_ps = .true.
     rcore=1.2
   lloc=2,
   file_pseudopw='Si.pbe-paw_kj.UPF'
   zval=4
   lpaw=.true.
     lnc2paw=.false.
     which_augfun ='BESSEL'
     rmatch_augfun= 1.40
     author='"Lorenzo Paulatto" <paulatto at sissa.it>'
     tm=.true.
   !bessel_vloc=.true.
   !file_screen='Si/ld1.scr'
    !lgipaw_reconstruction=.true.
!nX n  l   occ   nrg   rmin   rcut
 /
5
3S  1  0  2.00  0.00  1.50  1.80
3S  1  0  0.00  2.00  1.50  1.80
3P  2  1  2.00  0.00  1.50  1.80
3P  2  1  0.00  2.00  1.50  1.80
3D  3  2 -2.00  0.20  1.65  1.65

Uto timothy
phd candidate UI