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[Matthieu Verstraete <mjv500@york.ac.uk>]

Hi

I'm afraid a few of the files are missing - La Pr Eu Tb Dy Ho Th Pu.

This should appear on the web site (jm a.u.b.?). The configurations in the 
fhipp code I used were not good enough, and crashed even before generating 
all electron stuff. The .ini file you need is quoted below, but needs to 
be tuned to work correctly - I believe it is possible to get a La psp from 
the fhi code. At least the all-electron calculation is robust enough for 
anything... You also have to save the ae data to file in the fhi source 
code.

Otherwise if someone else has a code which generates ae densities, and can 
cross check the files on the web (and complete them) that would be great.

Matthieu

--
================================================================
Dr. Matthieu Verstraete                 mailto:mjv500@york.ac.uk
Dept. of Physics, University of York,     tel: +44 1904 43 22 08
Heslington, YO10 5DD York, United Kingdom fax: +44 1904 43 22 14

57.00 11  3  8  0.00 : z  nc  nv iexc rnlc
    1  0   2.00      : n  l   f
    2  0   2.00
    2  1   6.00
    3  0   2.00
    3  1   6.00
    3  2  10.00
    4  0   2.00
    4  1   6.00
    4  2  10.00
    5  0   2.00
    5  1   6.00
    6  0   2.00
    6  1   0.00
    5  2   1.00
2  t                 : lmax  s_pp_def
1  0  12.0   t