[Wien] re : TiO2 example

[George Amolo]

Dear L D Marks, Wien2k users

I appreciate your suggestions. Please kindly explain to me why the TiO2
example gave me an error of the form

 'NN' - overlapping spheres
 'NN' - RMT( 1)=2.00000 AND RMT( 2)=1.60000

 'NN' - SUMS TO 3.60000 GT NNN-DIST= 3.53480


when there was non previously and I have used exactly the same conditions,
structure files, as instructed by the UG. I would expect it to
consistently perform the minimization successfully as in the past. Could
this have anything to do with my previous ( see below) worry that the two
versions may interfere with each other. I am currently getting puzzled.
Cheers

george

>I have downloaded the complete Wien2k_04 version and installed it in a
>separate location from Wien2k_03. After having successfully compiled it I
>am having trouble running even the TiO2 I performed with the earlier
>version. Is there something I have forgotten to do? Do I need to remove
>the earlier version? Or should I individually download the bits I need and
>update Wien2k_03?