[Wien] Question about x nn

alberto piñeiro rodriguez alberto.pineiro at gmail.com
Wed Apr 23 18:47:06 CEST 2008


Dear Wien2k users,

I have a question about x nn.

I have a big struct of a manganite (total number of atoms: 80, total number
of inequivalent atoms: 56), and I need to see the distance of the nearest
neighbors of some atoms. When I run x nn I put the nn-bondlength factor as  4,
5, 6… to calculate the distance of the atoms which are very separate from
the one we take as a reference, but the biggest  value of the distance I can
see is 8.24 A. I need to see the distance of the atoms which are farther
away from these. How can I do that?

Thanks in advance


-- 
Alberto Piñeiro Rodríguez

La ausencia disminuye las pequeñas pasiones y aumenta las grandes,
lo mismo que el viento apaga las velas y aviva las hogueras.
"François de La Rochefoucauld"
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