mirror of https://gitlab.com/QEF/q-e.git
Documentation update
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2700 c92efa57-630b-4861-b058-cf58834340f0
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@ -463,6 +463,21 @@ that you have locally modified; conflicting files will contain lines like
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\end{verbatim}
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If this happen, you must edit the file manually to remove conflicts.
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You can compare your local copy with any version of the repository
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using
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\begin{verbatim}
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cvs diff -r tag
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\end{verbatim}
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or with the repository at a given date using
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\begin{verbatim}
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cvs diff -D date
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\end{verbatim}
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You can also compare two different versions/snapshots of the repository,
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by specifying two different tags or dates. Options \texttt{-i} (ignore case),
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\texttt{-w} (ignore all white spaces), \texttt{-b} (ignore changes in
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the number of white spaces) may be useful to distinguish true changes
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from ``esthetic'' changes such as indentation.
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READ-WRITE ACCESS ONLY:
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In order to save your changes to the repository, use
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@ -1182,9 +1182,19 @@ Update to the last version (presently 7.1.41, 8.0.046 or
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{\texttt{http://developer.intel.com/software/products/support/\#premier}}%
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{http://developer.intel.com/software/products/support/\#premier}.
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\hfill\break
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Intel v.~9 should work, but earlier releases had a bug in preprocessing
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that prevents compilation of {\tt iotk}. Use the last available version
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with the most patches.
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Intel v.~9 has a buggy preprocessing that either prevents compilation
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of \texttt{iotk}, or produces runtime errors in \texttt{cft3}. Workaround:
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modify \texttt{make.sys} to explicitly perform preprocessing using
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\texttt{/lib/cpp}, as in the following example (courtesy from Sergei
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Lysenkov):
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\begin{verbatim}
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.f90.o:
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$(CPP) $(CPPFLAGS) $< -o $*.F90
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$(MPIF90) $(F90FLAGS) -c $*.F90 -o $*.o
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CPP = /lib/cpp
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CPPFLAGS = -P -C -traditional $(DFLAGS) $(IFLAGS)
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\end{verbatim}
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Warnings ``size of symbol ... changed ...'' are produced by ifc 7.1 at
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the loading stage.
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@ -3041,4 +3051,24 @@ group of \textbf{q}, the code compares \textbf{q} and the rotated
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You may run into trouble if your \textbf{q}-point differs from a
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high-symmetry point by an amount in that order of magnitude.
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\section{Frequently Asked Questions}
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\begin{itemize}
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\item {\em How can I optimize the structural parameters of a
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low-symmetry lattice? should I use $E(v)$ curves, the stress,
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variable-cell molecular dynamics?}
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\item {\em Is there a simple way to determine the symmetry
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of a given phonon mode?}
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In some cases, degeneracy will help. In other cases, the character of a
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mode can be easily determined by direct inspection. In general, one needs
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to perform a group-symmetry analysis of the phonon mode, and this is
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presently not implemented. So the short answer is: no, only not-so-simple
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ways.
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You might find the ISOTROPY package useful:\\
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\htmladdnormallink{\texttt{http://stokes.byu.edu/iso/isotropy.html}}%
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{http://stokes.byu.edu/iso/isotropy.html}.
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\end{itemize}
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\end{document}
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