Setting IRefineModeFLAG=S causes error

[dnjohnstone]

Setting IRefineModeFLAG=S in the SrTiO3_short sample causes the following error in writing outputs. I believe this is that it tries to write a new structure factor output, but it hasn't calculated one with this flag.

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 felixrefine: 'Version: master / 1.03 / r.beanland               '
              'Date: 14-Mar-2019                                 '
              'Refinements B,C,D,F,H and S working, no HOLZ      '
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 total number of MPI ranks  001, screen messages via rank 000
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 Reflection pool of  600 with a minimum of   50 strong beams
 Material: SrTiO3, P m -3 m
 Simulation only
 Mean inner potential  22.42 Volts
 325 unique structure factors
 Starting absorption calculation...
 Absorption    0 hrs   0 mins   9 sec
 Bloch wave calculation...
 Simulation    0 hrs   3 mins   1 sec
 Writing simulations for   1 thicknesses
 At line 488 of file write_output_mod.f90
 Fortran runtime error: Index '1' of dimension 1 of array 'iindependentvariabletype' above upper bound of 0

 Error termination. Backtrace:
 #0  0x7fb745ece8da
 #1  0x7fb745ecf395
 #2  0x7fb745ecf73a
 #3  0x564000509ac2
 #4  0x5640004cd0e4
 #5  0x5640004b469e
 #6  0x7fb745b05b16
 #7  0x5640004b46c9
 #8  0xffffffffffffffff

[RudoRoemer]

This was part of the errors emerging from compiling with the gfortran compiler. Should now be fixed.