[Pw_forum] Zero-norm error during PP generation

[Chao Cao]

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Dear Lorenzo and PWSCF users:
  I was using ld1.x to generate PAW dataset for Lanthanum, where I
encountered a puzzling problem of "zero norm error". The input file is
as follows, and the error is right after the 2nd round of AE calculation:

     Message from routine normalize:
     zero norm: not a true US PP ?
     Message from routine normalize:
     zero norm: not a true US PP ?

The input file is as follows:

 &input
    title='La'
    prefix='La/ld1',
      zed=57,
    config='[Xe] 5d1 4f0 6s2 6p0'
    iswitch=3,
    dft='PBE'
 /
 &inputp
   pseudotype=3,
   nlcc=.true.,
     ! rcore=1.4
   lloc= 3,
     rcloc = 2.4
   file_pseudopw='La.pbe-paw.UPF'
     zval = 9.0
   lpaw=.true.
     which_augfun ='BESSEL' !'PSQ'
     rmatch_augfun= 2.2
   tm = .true.
   file_screen='La/ld1.scr'
   file_beta  ='La/ld1.beta'
   file_wfcusgen   ='La/ld1.usc'
   file_wfcaegen   ='La/ld1.aec'
!nX n  l   occ   nrg   rmin   rcut
 /
7
5P  2  1  6.00  0.00  2.00  2.40
5P  2  1  0.00  1.60  2.00  2.40
5D  3  2  1.00  0.00  2.20  2.60
5D  3  2  0.00  0.20  2.20  2.60
6S  1  0  2.00  0.00  2.20  2.60
6S  1  0  0.00  1.20  2.20  2.60
4F  4  3  0.00  0.00  2.40  2.40
 &test
    ecutmin = 36
    ecutmax = 48
    decut=2
    configts(1) = '5p6 5d1 6s2'
 /

I guess I made some stupid mistake in the input file, but I simply
cannot find it... Any hints/suggestions? Thanks in advance.


Chao Cao


- --
Chao Cao

Quantum Theory Project and Department of Physics
University of Florida, Gainesville, FL 32611
U.S.A.
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