[Wien] Issue in W2Web StructGen

[Fecher, Gerhard]

Dear Peter,
while preparing a VCA calculation I found a small issue with the structure generator in W2Web:
when saving the structure, Z was rounded to one digit after dot.
Example
Z=26.25   was saved as 26.2
Z=26.75   was saved as 26.8
editing the file after saving from the struct gen, the correct two digit Z was kept throughout the initialisation and scf.
(indeed, this issue was similar for other Z)

Probably this is a format issue, that should to be changed in some subroutine(s).

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."

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
and
Max Planck Institute for Chemical Physics of Solids
01187 Dresden
________________________________________
Von: Wien [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von tran at theochem.tuwien.ac.at [tran at theochem.tuwien.ac.at]
Gesendet: Samstag, 7. Mai 2016 17:37
An: wien at zeus.theochem.tuwien.ac.at
Betreff: [Wien]  mBJ

Peter Blaha?


>That is nearly the same answer that Peter gave already some time ago,
>isn't it?
>
>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."
>
>====================================
>Dr. Gerhard H. Fecher
>Institut of Inorganic and Analytical Chemistry
>Johannes Gutenberg - University
>55099 Mainz
>and
>Max Planck Institute for Chemical Physics of Solids
>01187 Dresden
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