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4.15 what='mur_lc_dos'

With this option the code computes the electronic dos at the geometry that minimizes the energy. See what='scf_dos' and what='mur_lc' for a list of the variables that control these two options. With this option the pressure control is active. You can specify a finite pressure and the enthalpy is minimized instead of the energy to find the equilibrium geometry. The dos is calculated at the geometry that corresponds to the external pressure.
Number of tasks for this option: see what='mur_lc' and what='scf_dos'.



2019-04-16