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6 How do I plot of the electronic density of states?

Use what='scf_dos'. See example18. With this option thermo_pw calls twice pw.x making first a self-consistent calculation followed by a non self-consistent calculation on a uniform k-point mesh. This mesh can be specified in the thermo_pw input (if none is given thermo_pw uses the default values). At the end of the run, the figure of the density of states is in a file called output_eldos.ps if you do not specify the name of the postscript file in the thermo_pw input.



2019-04-16