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Unoccupied States

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UnoccShowOccStates

Name UnoccShowOccStates
Section Calculation Modes::Unoccupied States
Type logical
Default false

If true, the convergence for the occupied states will be shown too in the output. This is useful for testing, or if the occupied states fail to converge. It will be enabled automatically if only occupied states are being calculated.

UnoccUseTD

Name UnoccUseTD
Section Calculation Modes::Unoccupied States
Type logical
Default no

If true, Octopus will use the density and states from the restart/td folder to compute the bandstructure, instead of the restart/gs ones.

Last modified on May 28, 2024 at 16:20 CEST. Based on Octopus branch “14.1”