[xcrysden] Runtime error in rendering the Fermi surface

Martin Kroeker martin at ruby.chemie.uni-freiburg.de
Tue Dec 8 09:31:35 CET 2015


> *"At line 125 of file wn_readbakgen.f (unit=8, file='case.outputkgen').
> Fortran runtime error: Bad integer for item 1 in list input"*

Can you check the (end of the) file for anything non-numeric in the first column ?
Old-style fortran programs have the nasty habit of printing stars instead of
digits if the number is bigger than the fixed field width allocated to
it in the code, e.g. if the program tries to print the band number with
a maximum of five characters you will see 99998...99999...*****...*****


-- 
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



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