[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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