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<H2><A ID="SECTION00041000000000000000">
3.1 Compilation</A>
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<P>
Typing <TT>make ph</TT> from the root Q<SMALL>UANTUM </SMALL>ESPRESSO directory, or <TT>make</TT>
from the <TT>PHonon</TT> directory, produces the following codes:
<UL>
<LI><TT>PH/ph.x</TT>: Calculates phonon frequencies and displacement patterns,
dielectric tensors, effective charges (uses data produced by <TT>pw.x</TT>).
</LI>
<LI><TT>PH/dynmat.x</TT>: applies various kinds of Acoustic Sum Rule (ASR),
calculates LO-TO splitting at <!-- MATH
${\bf q} = 0$
-->
<IMG STYLE="height: 1.52ex; vertical-align: -0.55ex; " SRC="img1.png"
ALT="$\bf q$"> = 0 in insulators, IR and Raman
cross sections (if the coefficients have been properly calculated),
from the dynamical matrix produced by <TT>ph.x</TT>
</LI>
<LI><TT>PH/q2r.x</TT>: calculates Interatomic Force Constants (IFC) in real space
from dynamical matrices produced by <TT>ph.x</TT> on a regular <B>q</B>-grid
</LI>
<LI><TT>PH/matdyn.x</TT>: produces phonon frequencies at a generic wave vector
using the IFC file calculated by <TT>q2r.x</TT>; may also calculate phonon DOS,
the electron-phonon coefficient <I>λ</I>, the function <!-- MATH
$\alpha^2F(\omega)$
-->
<I>α</I><SUP>2</SUP><I>F</I>(<I>ω</I>)
</LI>
<LI><TT>PH/lambda.x</TT>: also calculates <I>λ</I> and <!-- MATH
$\alpha^2F(\omega)$
-->
<I>α</I><SUP>2</SUP><I>F</I>(<I>ω</I>),
plus <I>T</I><SUB>c</SUB> for superconductivity using the McMillan formula
</LI>
<LI><TT>PH/alpha2f.x</TT>: also calculates <I>λ</I> and <!-- MATH
$\alpha^2F(\omega)$
-->
<I>α</I><SUP>2</SUP><I>F</I>(<I>ω</I>).
It is used together with the optimized tetrahedron method
(<code>occupations="tetrahedra_opt"</code> in <TT>pw.x</TT>) and shifted <I>q</I>-grid
(<code>lshiftq=.true.</code> in <TT>ph.x</TT>).
</LI>
<LI><TT>PH/fqha.x</TT>: a simple code to calculate vibrational entropy with
the quasi-harmonic approximation
</LI>
<LI><TT>PH/dvscf_q2r.x</TT>: performs inverse Fourier transformation of phonon
potential from a regular <B>q</B> grid to real space.
</LI>
<LI><TT>Gamma/phcg.x</TT>:
a version of <TT>ph.x</TT> that calculates phonons at <!-- MATH
${\bf q} = 0$
-->
<IMG STYLE="height: 1.52ex; vertical-align: -0.55ex; " SRC="img1.png"
ALT="$\bf q$"> = 0 using
conjugate-gradient minimization of the density functional expanded to
second-order. Only the <I>Γ</I> (<!-- MATH
${\bf k} = 0$
-->
<IMG STYLE="height: 1.63ex; vertical-align: -0.10ex; " SRC="img3.png"
ALT="$\bf k$"> = 0) point is used for
Brillouin zone integration. It is faster and takes less memory than
<TT>ph.x</TT>, but does not support spin polarization, USPP and PAW.
</LI>
</UL>
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