[gpaw-users] : RuntimeError: Ghost!

[Yuelin Li]

Have this error (see CoreHole.txt)

  Traceback (most recent call last):
   File "test3.py", line 22, in <module>
     g.run(name=name, **parameters[el])
   File "/usr/lib/python2.6/dist-packages/gpaw/atom/generator.py", line 
836, in run
     raise RuntimeError('Ghost!')
RuntimeError: Ghost!

While trying the following script. What is the remedy? Thanks.
----------------------------------------------------------

import os

from gpaw import Calculator
from gpaw.atom.generator import Generator
from gpaw.atom.generator import parameters

# Generate setups with 0.5, 1.0, 0.0 core holes in 1s
elements = ['O', 'Ca', 'Mn']
coreholes = [0.5, 1.0, 0.0]
names = ['hch1s', 'fch1s', 'xes1s']
functionals = ['LDA', 'PBE']

for el in elements:

   for name, ch in zip(names, coreholes):

     for funct in functionals:

         g = Generator(el, scalarrel=True, xcname=funct,
                       corehole=(1, 0, ch), nofiles=True, 
txt="CoreHole.txt")

         g.run(name=name, **parameters[el])
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