[Wien] Small structure issue

[Fecher, Gerhard]

I realized that a new structure file is not always accepted during initialization with w2web (also batch initialisation)
It seems the old case.structure_st is used.

Problem:
one might have a small typo in the structure (one position with wrong decimal place, or changing the atom and forgetting to change Z)
if this is recognized after the initialization and changed afterwards in the struct file,
the struct file is changed back to the old version most probably after copy struct_st,
that means a new case.structure_st is not produced after editing case.struct



Ciao
Gerhard

DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."

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Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
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