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![\begin{boxedminipage}{\textwidth}
\begin{verbatim}call calc_defect_energy(pot,at_bulk,log,at_def, &
[def_no,def_e])\end{verbatim}
\end{boxedminipage}](img1507.png)
- pot -- type(Potential), intent(inout)
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- at_bulk, at_def -- type(Atoms), intent(inout)
-
- log -- type(Inoutput), intent(inout)
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- def_no -- integer, intent(in), optional
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- def_e -- real(dp), intent(out), optional
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do_relax subroutine
gabor
2009-06-30