[Wien] ELNES input files

Peter Blaha pblaha at zeus.theochem.tuwien.ac.at
Wed Nov 24 08:41:32 CET 2004


Look into  $WIENROOT/SRC_templates/case.in*

> 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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> 


                                      P.Blaha
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