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AlN by FEFF?



Hello Feffusers,
  Here is a question I had when I calculated
XANES for AlN. When I did the calculation, the
system always had a warning as following:
"muffin tin radii and interstitial parameters
 WARNING: NO ATOMS CLOSE ENOUGH TO OVERLAP ATOM
   1,  UNIQUE POT    0!!  Rmt set to Rnorman.
 May be error in input file.
 iph, rnrm(iph)*bohr, rmt(iph)*bohr, folp(iph)
    0  1.23052E+00  1.23052E+00  1.00000E+00
    1  1.60776E-04  9.00075E-05  1.02908E+00
    2  1.60778E-04  8.99927E-05  1.02891E+00
              Core-valence separation
WARNING: fatal error in subroutine corval. Try
  to reduce ca1 in SCF card. If does not help,
SEND bug report to AUTHORS
CORVAL-1"
  Hexangonal AlN is a non-closely packed
structure, which might be the 
reason of the problem. I try to change some
values in "FOLP" and "Interstitial" commands,
but it didn't work. Could anybody give me some
advice?
 Thanks in advance,
Ni

Ni Zhao
Department of Materials Science and Engineering
Mcmaster University
1280 Main Street West
Hamilton, Ont. L8S 4L7, Canada
(905) 525-9140 Ext. 24544