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states changes between reading and writing

The atom positions were wrong because the array zat in
force/geo.f90 was not initialized.

The error was due to an unintended swapping of
tdu with tud in write_tlmplm.

The here fixed bugs are due to a missing division by 2*Pi wherever
the old cotra1 subroutine was replaced by a call to MATMUL.

This is done iff the input file for the input file generator
specifies a film calculation but no dVac is provided.

Also: Initialize mat array in inpgen/struct_input.f to 0. The
missing initialization lead to an error.

The old code is not yet commented out, the result is just overwritten.

The error

forrtl: severe (408): fort: (2): Subscript #2 of the array FGXY has value 34 which is greater than the upper bound of 33

Image              PC                Routine            Line        Source
fleur              000000000197775A  Unknown               Unknown  Unknown
fleur              0000000001976256  Unknown               Unknown  Unknown
fleur              00000000019200C0  Unknown               Unknown  Unknown
fleur              00000000018A8A5F  Unknown               Unknown  Unknown
fleur              00000000018A8F81  Unknown               Unknown  Unknown
fleur              0000000000DD50A2  m_fft2d_mp_fft2d_          47  fft2d.F90
fleur              0000000001264290  m_vvacxcg_mp_vvac         257  vvacxcg.f90
fleur              00000000007C8301  m_vgen_mp_vgen_           547  vgen.F90
fleur              00000000004077E3  m_fleur_mp_fleur_         406  fleur.F90
fleur              0000000000794AF2  m_fleur_jobs_mp_f         170  fleur_job.F90
fleur              0000000000794FF0  MAIN__                    238  fleur_job.F90
fleur              00000000004061DC  Unknown               Unknown  Unknown
libc.so.6          000000368A01D9F4  Unknown               Unknown  Unknown
fleur              00000000004060E9  Unknown               Unknown  Unknown

was thrown.

The error was due to arrays being larger than the actually used part
in combination with fortran array operations.

as this breaks shared memory parallelism

module variables as this will break shared memory parallelisation!