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1.3 How do I plot the electronic density of states?

Use what='scf_dos'. See example18. With this option THERMO_PW calls pw.x twice, 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 by default output_eldos.ps, a name that can be changed in the THERMO_PW input.



2024-02-14