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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 regular mesh of k points. This mesh can be specified in the thermo_pw input (if none is given thermo_pw uses the default values). The density of states can be found in a file called output_eldos.ps if you do not specify the name of the postscript file in the thermo_pw input.



2018-04-03