[gpaw-users] Custom-setup for Bi

[Vitali Grozovski]

Dear GPAW community,
I was trying to make a custom setup for Bismuth with frozen core and PBE
functional, but I got this error constantly, even updating setup files
didn't help.

-------------------------------------------------------------------------------
gpaw-setup Bi -c [Xe]5d -f PBE

Scalar-relativistic atomic PBE calculation for Bi (Bismuth, Z=83)
Traceback (most recent call last):
  File "/usr/bin/gpaw-setup", line 7, in <module>
    main()
  File "/usr/lib64/python2.7/site-packages/gpaw/atom/gpaw_setup.py", line
151, in main
    **p)
  File "/usr/lib64/python2.7/site-packages/gpaw/atom/generator.py", line
72, in run
    assert n_j[j] == int(core[0])
AssertionError
-------------------------------------------------------------------------------------

Can anybody, please, suggest a solution for that?

With best wishes,

Vitali Grozovski
University of Bern
Freiestrasse 3, 3012 Bern
Switzerland
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