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Doc/manual.tex
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@ -214,19 +214,18 @@ and let us apologize to everybody we have forgotten.
This manual was (mostly) written by Paolo Giannozzi.
\subsection{Terms of Use}
\subsection{Terms of use}
ESPRESSO is free software, released under the GNU General Public
License
(\htmladdnormallink{\texttt{http://www.pwscf.org/License.txt}}%
{http://www.pwscf.org/License.txt},
or the file \texttt{License} in the top directory of the ESPRESSO
distribution).
or the file \texttt{License} in the distribution).
All trademarks belong to their respective owners.
We shall greatly appreciate if scientific work done using this code
will contain an explicit acknowledgment and a reference to the PWscf
web page.
will contain an explicit acknowledgment and a reference to the
ESPRESSO web page.
Our preferred form for the acknowledgment is the following:
\begin{quote}
@ -237,8 +236,12 @@ Calculations in this work have been done using the ESPRESSO package
\par\noindent
\emph{Bibliography:}
\par\noindent
[\emph{ref}] S.~Baroni, A.~Dal Corso, S.~de Gironcoli, and
P.~Giannozzi, \texttt{http://www.pwscf.org/}.
[\emph{ref}]
S.~Baroni, A.~Dal Corso, S.~de Gironcoli, P.~Giannozzi, % PWscf
C.~Cavazzoni, G.~Ballabio, S.~Scandolo, G.~Chiarotti, P.~Focher, % FPMD
A.~Pasquarello, K.~Laasonen, A.~Trave, R.~Car, N.~Marzari, % CP
A.~Kokalj, % PWgui
\texttt{http://www.pwscf.org/}.
\end{quote}
\clearpage
@ -1090,7 +1093,7 @@ This must be the same \textbf{q}-vector given in the input of
A sample phonon calculation is performed in Example 02.
\subsubsection{Calculation of Interatomic Force Constants in real
\subsubsection{Calculation of interatomic force constants in real
space}
First, dynamical matrices are calculated and saved for a suitable
@ -1138,7 +1141,7 @@ and the final result is summed over all \textbf{q}-vectors, using
\texttt{pwtools/lambda.x}. The input data for the latter is
described in the header of \texttt{pwtools/lambda.f90}.
\subsection{Post Processing}
\subsection{Post-processing}
There are a number of auxiliary codes performing postprocessing tasks
such as plotting, averaging, and so on, on the various quantities
@ -1701,9 +1704,9 @@ one processor.
\clearpage
\section{Performance Issues}
\section{Performance issues}
\subsection{CPU time requirement}
\subsection{CPU time requirements}
The following holds for code {\tt pw.x} and for non-US PPs.
For US PPs there are additional terms to be calculated.
@ -1791,7 +1794,7 @@ T_{scf} = d_2 \cdot Nr_1 \cdot Nr_2 \cdot Nr_3 + d_3 \cdot
$$
where $d_1$, $d_2$ are prefactors.
\subsection{Memory requirement}
\subsection{Memory requirements}
A typical \texttt{pw.x} run will require a maximum memory in the order
of $O$ double precision complex numbers, where
@ -1811,7 +1814,7 @@ Use it exactly as \texttt{pw.x}.
The memory required by the phonon code follows the same patterns,
with somewhat larger factors $m$, $p$, $q$.
\subsection{File space requirement}
\subsection{File space requirements}
A typical \texttt{pw.x} run will require an amount of temporary disk
space in the order of $O$ double precision complex numbers: