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...it was broken after the last commit. Don't know if it can be trusted
at the moment.

removed: weight, natd, nkpts,nkptd

For some numbers more than 10 digits were written out to inp.xml.
But it turned out that starting with the 11th digit numerical
noise becomes relevant so that the numbers became strange. It is
surprising that we already have numerical noise in the 11th digit.
I expected this to happen at digit 15 or so.

Not writing out the explicit version of the file could
lead to problems, e.g., dependence on a non-existing
sym.out file.

...still not functional.

Available special k points provided in inp.xml are used iff the file
band_inp is not present.

Also in this commit: Some mor copyright notices.

Also in this commit: Set the default vacuum energy parameter
to -0.25 Htr. It was -0.1 Htr at some places. The default value
is now stored in constants.f.

(more to come to make it functional)

Note: The indentation of this part is not correct and it is a yet
      unsolved problem to elegantly introduce easy switching the
      indentation between inp.xml and out.xml.

Changed .eq. to .eqv. for comparison of logicals
Changed assignment of logical to integer variable

Note that there are still some known issues:

1. Possibly incorrect data for energy parameters, LOs
2. Incomplete data: electron configuration, comment
3. Not neccessarily explicit data: Bravais matrix

For systems with multiple atom types there was a bug in r_inpXML.
This is corrected with this commit.

Also in this commit: Changed the order of the core states.

Note that there are still bugs.

Also in this commit: Enabled reading in enpara in w_inpXML
iff it exists.

Note: With this fix the Cu film calculation can be started with
the inp.xml file. However, the results are not yet verified.

Besides the conventional input, the new inpgen now also generates an
inp.xml file containing all required data to start a calculation. The
commit also includes additional command line parameters for inpgen:

   "-explicit": This writes k-points, symmetry operations, and the Bravais
                matrix explicitly into the inp.xml file.
   "-noXML":    This switches of the generation of the inp.xml file.