The pw.x and ph.x input files are described in the QUANTUM ESPRESSO documentation. In this section we discuss only the creation of the file thermo_ control. This file contains a namelist:
&INPUT_THERMO what=' ', ... /The what variable controls the sequence of calculations made by thermo_pw. For each possible value of what, we discuss briefly the input variables that you can use to control the output plots. Usually default values of the input variables are sufficient to carry out the basic thermo_pw tasks and you are not supposed to set any variable except what, but in some cases these input variables give you more control on the calculation and can be used to tune its accuracy.
thermo_pw actually writes on file the data to plot and writes a script to plot
these data. The output postscript or pdf files are produced
by invoking the
gnuplot program. Usually any modern Linux
distribution provides a package to install this code, or has it already
installed. If not, you can download it from
http://www.gnuplot.info/.
The following input variables control the use of the gnuplot code:
lgnuplot : if .TRUE. gnuplot is called from within the
program and the postscript or pdf files are
immediately available. Otherwise give the
command gnuplot gnuplot_files/*.
Default: logical .TRUE.
gnuplot_command : the command used to call gnuplot.
Default: character(len=*) 'gnuplot'
flgnuplot : initial part of the name of the files where
gnuplot scripts are written.
Default: character(len=*) 'gnuplot.tmp'
flext : extension of the output files. Presently .ps
and .pdf are supported for postscript or pdf
output. The latter is available only if gnuplot
supports the pdfcairo terminal.
Default: character(len=*) '.ps'
If your system has not gnuplot
you can disable the production of the postscript or
pdf files and use other
graphical tools to do plots from the output data.