[Wien] a small issue (100 atoms) for big telnes

[Peter Blaha]

> The point is that the format of the rotlm-file (used only for telnes) is not yet adapted to the 100 atoms format.
> This can simply be solved by changing two format labels.
> The first one (for writing case.rotlm) is in SRC_lapw2/l2main.F :
> change
>  100   FORMAT('inequivalent atom number',I3,' number ',I2,' total ',I2)
> to
>  100   FORMAT('inequivalent atom number',I3,' number ',I2,' total ',I3)
> In fact, this may be a good occasion to go beyond three digits and add some more (for the first and third integer.  The second number is limited to the multiplicity and hence to 48, so it needs not be increased.)
> We also have to change SRC_telnes/lecture.f :
>  100  FORMAT(25X,I2,8X,I2,7X,I2)
> should become something like
>  100  FORMAT(24X,I3,8X,I2,7X,I3)

Thank's for this bug report.
I'll change the Formats in SRC_lapw2/l2main.F to:
  100   FORMAT('inequivalent atomnumber ',I3,' number ',I2,' total ',I4)
and correspondingly in SRC_telnes/lecture.f to:
  100  FORMAT(24X,I3,8X,I2,7X,I4)

Regards

                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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