[Wien] clmcopy not adapted for 100 atom format?

Jorissen Kevin Kevin.Jorissen at ua.ac.be
Tue Aug 5 19:27:06 CEST 2003


Dear wien users,
 
is it the case that the code has not been exhaustively checked for the new format rules?
 
When one runs an AFM calculation (runafm), a program 'clmcopy' is called, which copies case.clmvalup into clmvaldn.
It does not respect the new format demanded by mixer.
format line 2001 in clmcopy.f :
 2001 FORMAT(3X,'NUMBER OF LM=',I2//)  
does not match the (15x,I3) read by mixer.
 
Changing it to :
 2001 FORMAT(2X,'NUMBER OF LM=',I3//)
seems to work.
(another possibility would be to call 100atomfix_clm after calling clmcopy, but that's rather awkward).
 
Kevin.
  




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