[Wien] Re: in1new and AW: Language variables

[Martin Kroeker]

>I wonder why the global parameter is changed from .3 to .311 with the '.' 
>correctly, whereas the other values come with a ',' ?

This is funnier than i thought - looking at write_in1, i see that the
".... global e-param...." line is generated from a "bc" calculation on
values obtained by grep. And "bc" appears to be immune to locale issues.
The other values are printed by "awk" calls, and these suffer badly from
the LC_NUMERIC problem - not only does it print a decimal comma, it also
removes any decimals from the input value.
The final "K-VECTORS FROM" line appears to be copied from the input file,
but this only happens when the script "thinks" that there are any
unprocessed lines remaining in the original. Probably that calculations
fails in some way too. At a guess, adding "setenv LC_NUMERIC C" at the top
of the write_in1 script should fix all these issues.
-- 
Dr. Martin Kroeker            martin at ruby.chemie.uni-freiburg.de
c/o Prof.Dr. Caroline Roehr
Institut fuer Anorganische und Analytische Chemie der Universitaet Freiburg