[Wien] cif2struct creates an empty file

Jonas Baltrusaitis jasius_1 at yahoo.com
Sat Aug 29 03:27:10 CEST 2009


To compound the problem I can't even prepare input by following the TiC example from the manual.

After I choose 3% reduction parameter RMT values are still zero
also
Number of symmetry operations: generate instead of 48.

Finally, tic.inst is not generated, instead I have a folder with:

:log
nn.def
setrmt.struct
setrmt.struct_setrmt
tic.struct
tic.struct_ii

I believe there is something wrong with either compilation or configuration but have no experience to figure that out

would appreciate any help

Jonas



      


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