Next: Interface calc_diag
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![\begin{boxedminipage}{\textwidth}
\begin{verbatim}call calc(this,at[,energy,...
...e_fermi_E,fermi_E,fermi_T,band_width, &
AF])\end{verbatim}
\end{boxedminipage}](img1055.png)
- this -- type(TB_type), intent(inout)
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- at -- type(Atoms), intent(inout)
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- energy -- real(dp), intent(out), optional
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- local_e -- real(dp), intent(out), optional, dimension(:)
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- forces -- real(dp), intent(out), optional, dimension(:,:)
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- virial -- real(dp), intent(out), optional, dimension(3,3)
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- args_str -- character(len=*), intent(in), optional
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- err -- integer, intent(out), optional
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- use_fermi_E -- logical, optional
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- fermi_E, fermi_T, band_width -- real(dp), intent(inout), optional
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- AF -- type(ApproxFermi), intent(inout), optional
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calc_diag interface
gabor
2009-06-30