Resolve "ExtraStatesToConverge_for_gs"

Christian Jönsrequested to merge
1223-extrastatestoconverge_for_gs into main

Description

It is cumbersome to get well converged states in a gs calculation with additional ExtraStates. For the unocc calculation, there is an option for ExtraStatesToConverge and I want to add this feature to the gs calculation.

News snippet

Implement the ExtraStatesToConverge option for a gs calculation.

Checklist

  • I have checked that my code follows the Octopus coding standards
  • I have added tests for all the new features added in this request.

Closes #1223 (closed)

Edited by Christian Jöns

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