~siesta-spinctm/siesta/spinctm

Viewing all changes in revision 523.

  • Committer: Nick Papior
  • Date: 2016-06-22 08:14:08 UTC
  • Revision ID: nickpapior@gmail.com-20160622081408-ccjjeypszl09h4pr
Removed siesta hartree fix

- This was not used consistently with transiesta.

  Hence it has been removed.

  Instead the user may use this flag:
    TS.SIESTA.Only .true.
  which stops transiesta after the initial siesta
  convergence.
  However, this will only take effect if the diagon
  method is used as an initial step.

- Updated a few transiesta related fdf-flags so they
  fit with their intentional meaning in the calculation.

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