[Wien] x kgen throwing out-of-range warnings

[Scott Beardsley]

Laurence Marks wrote:
> Unfortunately it's a real bug. With TiC the first time line 207 of
> groups.f is reached, adding in a debug
> 
>         write(*,*)NSYMEL(IBRAVA,I1,J),Ibrava,i1,j
> 
> gives an output
>            0           4           1           1
> 
> and Nsymel(4,1,1) is never defined in the data statements.

I'm not sure if you noticed but there were two potential bugs. One in
groups.f and one in tetcnt.f. See the output hiding after the groups.f
warnings:

>>> lib-4964 : WARNING
>>>   Subscript is out of range for dimension 1 for array
>>>   'W' at line 104 in file '/export/1/src/WIEN2K_09/SRC_kgen/tetcnt.f',
>>>   diagnosed in routine '__f90_bounds_check'.
>>>
>>> lib-4964 : WARNING
>>>   Subscript is out of range for dimension 2 for array
>>>   'IY' at line 151 in file '/export/1/src/WIEN2K_09/SRC_kgen/tetcnt.f',
>>>   diagnosed in routine '__f90_bounds_check'.
>>>
>>> lib-4964 : WARNING
>>>   Subscript is out of range for dimension 2 for array
>>>   'IY' at line 151 in file '/export/1/src/WIEN2K_09/SRC_kgen/tetcnt.f',
>>>   diagnosed in routine '__f90_bounds_check'.
>>>
>>> lib-4964 : WARNING
>>>   Subscript is out of range for dimension 2 for array
>>>   'IY' at line 151 in file '/export/1/src/WIEN2K_09/SRC_kgen/tetcnt.f',
>>>   diagnosed in routine '__f90_bounds_check'.
>>>
>>> lib-4964 : WARNING
>>>   Subscript is out of range for dimension 2 for array
>>>   'IY' at line 151 in file '/export/1/src/WIEN2K_09/SRC_kgen/tetcnt.f',
>>>   diagnosed in routine '__f90_bounds_check'.
>>>   NUMBER OF K-POINTS IN WHOLE CELL: (0 allows to specify 3 divisions of G)
>>>  length of reciprocal lattic vectors:   1.331   1.331   1.331  10.000
>>> 10.000  10.000
>>>  47  k-points generated, ndiv= 10 10 10
>>>  STOP KGEN ENDS
>>>  STOP
>>> 0.043u 0.010s 0:00.06 83.3%   0+0k 0+0io 0pf+0w