Small improvement of the documentation.

Doc/developer_guide.tex

@@ -767,6 +767,19 @@ \section{\color{coral}Files contents}
 while no extension indicates quantities obtained from the phonon density 
 of states.
 
+\item 
+\texttt{therm\_files/fltherm.debye\_g\#} (default name 
+\texttt{output\_therm.dat.debye\_g\#}). For each geometry for which 
+the elastic constants are calculated (and whose number is given
+by \texttt{g\#}) the code produces a file that contains 
+the harmonic thermodynamic quantities as a function of temperature computed
+within the Debye model. It contains:
+\begin{verbatim}
+#   T       energy       free energy       entropy      C_v 
+\end{verbatim}
+The temperature, the vibrational energy, free energy, entropy, and
+isochoric heat capacity.  
+
 \item 
 \texttt{therm\_files/fltherm.g\#(\_ph).\#na.dw} (default name 
 \texttt{output\_therm.dat.g\#(\_ph).\#na.dw}). 
@@ -783,6 +796,17 @@ \section{\color{coral}Files contents}
 while no extension indicates quantities obtained from the generalized phonon 
 density of states.
 
+\item 
+\texttt{therm\_files/fltherm.debye\_g\#.dw} (default name 
+\texttt{output\_therm.dat.debye\_g\#.dw}). This file is produced
+only if the solid has one atomic type. For each geometry for which 
+the elastic constants are calculated (and whose number is given
+by \texttt{g\#}) the code produces a file that contains 
+the atomic $B$ factor calculated within the Debye model. It contains:
+\begin{verbatim}
+#   T       B_33 
+\end{verbatim}
+
 \item 
 \texttt{anhar\_files/flanhar(\_ph)} (default name \texttt{output\_anhar.dat}).
 This file contains the following quantities

Doc/user_guide.tex

@@ -1504,7 +1504,7 @@ \subsection{\color{web-blue}\texttt{what='mur\_lc\_t'}}
 The frequencies at all the calculated geometries are interpolated
 by quadratic or quartic polynomials of the crystal parameters
 and can be shown at crystal parameters given in input or at those that
-minimize the free energy at a the temperature given in input. The 
+minimize the free energy at a temperature given in input. The 
 interpolated frequencies  
 are shown on the same path used for the phonon dispersions.
 In addition to the frequencies the code produces also several plots of
@@ -1547,9 +1547,10 @@ \subsection{\color{web-blue}\texttt{what='mur\_lc\_t'}}
 approximation" and are used
 to calculate the other thermodynamic properties. In addition to the
 quantities plotted for cubic solids, the code plots also the elastic
-constants as a function of the temperature and the difference between
-elastic constants calculated at constant temperature or at constant
-entropy. These possibilities are implemented only for cubic, tetragonal, 
+constants and the bulk modulus as a function of the temperature. 
+Moreover the thermal stresses and the generalized average Gr\"uneisen
+parameters are plotted.
+These possibilities are implemented only for cubic, tetragonal, 
 hexagonal, trigonal, and orthorhombic systems. \\
 With this option the pressure control is active. You can specify a
 finite pressure and the Gibbs energy is minimized instead of the

thermo_pw_help.md

@@ -314,3 +314,13 @@ computed.
 Most probably you have not cleaned the outdir directory. Note that the 
 <code>thermo_pw</code> always tries to use the content of the 
 <code>outdir</code> directory if present.
+<br><br>
+20. I made a calculation with <code>with_eigen=.FALSE.</code>. Is it possible
+to restart with <code>with_eigen=.TRUE.</code>?
+<br>
+Yes, but you have to remove both the <code>phdisp_files</code> and the 
+<code>therm_files</code> directories, while keeping the 
+<code>dynamical_matrices</code> and the <code>restart</code> directories.
+If you removed the <code>outdir</code> directory, use 
+<code>after_disp=.TRUE.</code> and set <code>fildyn</code> with the
+name of the dynamical matrices.