Documentation update

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2700 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2006-01-13 16:27:28 +00:00
parent 80ad81b265
commit c31df6f6f0
2 changed files with 48 additions and 3 deletions

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