next up previous contents
Next: 24 How do I Up: Tutorial for the Thermo_pw Previous: 22 How do I   Contents

23 How do I calculate the electronic heat capacity of a metal?

Use what='scf_dos'. See example18. In the metallic case in addition to a plot of the density of states this option produces also a plot of the electronic energy, free energy, entropy, heat capacity and chemical potential in the standard temperature range if this range is not given in the thermo_pw input. These quantities are found in the file output_eltherm.ps if the name of the postscript file is not given in the thermo_pw input. Please keep the default value of deltae or the electronic thermodynamic properties could be wrong at low temperatures.



2018-04-03