[Wien] ELNES input files

[Jorissen Kevin]

Indeed you cannot!
 
My suggestion  :  work in w2web, it will automatically provide you with a suitable input file.
 
If you don't want to do that for some reason, try this (saying the name of your working directory is workdir) :
cp $WIENROOT/SRC_templates/case.innes    workdir.innes
 
ANd the same goes for other input files.
 
 
 
Kevin Jorissen
 
EMAT - Electron Microscopy for Materials Science   (http://webhost.ua.ac.be/emat/)
Dept. of Physics
 
UA - Universiteit Antwerpen
Groenenborgerlaan 171
B-2020 Antwerpen
Belgium
 
tel  +32 3 2653249
fax + 32 3 2653257
e-mail kevin.jorissen at ua.ac.be
 

________________________________

Van: wien-admin at zeus.theochem.tuwien.ac.at namens Shu Miao
Verzonden: wo 24-11-2004 0:13
Aan: wien at zeus.theochem.tuwien.ac.at
Onderwerp: [Wien] ELNES input files



Dear users,
Here is a basic question about the ELNES calculation. How to generate the
input files such as case.innes? I cannot find it after running scf cycles.
This is also a problem for the case.inxs in XSPEC calculation. Is it
caused because I did all the previous work in parallel execution? If so,
is there a way to generate those files based on the parallel results?
Thanks a lot

Shu Miao

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