[Pw_forum] Restart of spin polarized calculations in pwscf 2.0.1
sbraccia at sissa.it
Thu Apr 15 13:22:54 CEST 2004
On Thursday 15 April 2004 09:39 am, Andrea Vittadini wrote:
> Hi, I'm running some spin-polarized calculations which need to be
> restarted. My problem is that whereas the 1.3.0 code used to do it
> smoothly, PWSCF 2.0.1 asks for the "starting_magnetization" card, which
> obviously means loosing information of the previous run.
> Any hint?
> A. Vittadini
when you restart a calculation the charge density should be read from file and
the starting_magnetization keyword should not be used so that you do not
loose any information by setting that keywork (but is needed if the file with
the old charge density is not there). Let me know if you have any evidence
that things are going different.
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