[Wien] some elnes scripts

Michael Frotscher frotscher at chemie.uni-hamburg.de
Mon Aug 30 13:15:39 CEST 2004


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Dear Kevin,

> Hi, here are the scripts mentioned a few days ago.  

I haven't used those some time now and am trying to get them back to work as a 
colleague of mine is doing some elnes-calculations.

We have a cell with several Boron, Beryllium and Carbon atoms, but are 
interested in the summarized elnes of Boron alone. So we set up an input file 
for the Boron atoms and ran elnesofunitcell. It ran successfully, calculating 
the elnes for each of our Boron atoms and complaining about no template for 
the others. However, at the end we got "lst: Subscript out of range". Is this 
to worry about?

According to your instructions we now tried to run sumelnesses, which 
terminated with "tel: Command not found". There is a script called "tel.for", 
but I am not sure what it is for or in what language it is written.

Do you know what we are missing here?

sincerely,
- -- 
Michael Frotscher
Institute of Inorganic and Applied Chemistry
University of Hamburg, Germany 
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