[Wien] error in wien13 mini/wrtscf.f

[Torsten Weissbach]

Hi,

there seems to be a small bug in the Wien2k 13 version of mini. A
formatted read error is produced when mini is run for non-spin
calculations. It happens in wrtscf.f. Probably the impact of this error
depends on the fortran compiler (I use ifort 11.1).

Problem occurs in line 25

        READ(MARGN,760) q(index,1,iscf),q(index,2,iscf)
         if(q(index,2,iscf).ne.0.d0) jspin=2

because in the non-spinpolarized case the second charge (q) is not
present. I tried to fix it this way:

...
      INTEGER        bla

...
         READ(MARGN,760,iostat=bla) q(index,1,iscf),q(index,2,iscf)
         if(bla>0) jspin=2

but I'm not sure of that because my little fortran knowledge is based on
internet wikis.

Best regards,
Torsten