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git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6617 e5b18d87-469d-4833-9cc0-8cdfa06e9491

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Norm Tubman 2015-11-11 19:44:21 +00:00
parent 461c3a63e9
commit 2e6963eed6
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3
manual/dmc.tex
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@ -164,7 +164,8 @@ on diffusion Monte Carlo.
</qmc>
\end{lstlisting}
The flags checkpoint and dumpconfig instructs qmcpack to output walker configurations. This also
works in variational Monte Carlo. This will output an h5 file with the project id and iteration number.
works in variational Monte Carlo. This will output an h5 file with the name "projectid"."run-number".config.h5.
Check that this file exists before attempting a restart.
To read in this file for a continuation run, specify the following:
\begin{lstlisting}[caption=Restart (read wakers from previous run) ]
<mcwalkerset fileroot="BH.s002" node="-1" nprocs="1" version="0 6" collected="yes"/>

43
manual/spo_heg.tex
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@ -1,3 +1,46 @@
\subsection{Homogeneous electron gas}
\label{sec:hegbasis}
The interacting Fermi Liquid has its own special determinantset for filling up a
Fermi surface. The shell number can be specified seperately for both spin up and spin down.
This determines how many electrons to include of each time, only closed shells are currently
implemented. The shells are filled according to the rules of a square box, if other lattice
vectors are used, the electrons may not fill up a complete shell.
This following example can also be used for Helium simulations too, by specifying the
proper pair interaction in the Hamiltonian section.
\begin{lstlisting}[caption=2D Fermi Liquid example: particle specification ]
<qmcsystem>
<simulationcell name="global">
<parameter name="rs" pol="0" condition="74">6.5</parameter>
<parameter name="bconds">p p p</parameter>
<parameter name="LR_dim_cutoff">15</parameter>
</simulationcell>
<particleset name="e" random="yes">
<group name="u" size="37">
<parameter name="charge">-1</parameter>
<parameter name="mass">1</parameter>
</group>
<group name="d" size="37">
<parameter name="charge">-1</parameter>
<parameter name="mass">1</parameter>
</group>
</particleset>
</qmcsystem>
\end{lstlisting}
\begin{lstlisting}[caption=2D Fermi Liquid example (Slater Jastrow wave function) ]
<qmcsystem>
<wavefunction name="psi0" target="e">
<determinantset type="electron-gas" shell="7" shell2="7" randomize="true">
</determinantset>
<jastrow name="J2" type="Two-Body" function="Bspline" print="no">
<correlation speciesA="u" speciesB="u" size="8" cusp="0">
<coefficients id="uu" type="Array" optimize="yes">
</correlation>
<correlation speciesA="u" speciesB="d" size="8" cusp="0">
<coefficients id="ud" type="Array" optimize="yes">
</correlation>
</jastrow>
\end{lstlisting}