[Octopus-users] Re: Can't restart unocc is fixed

[Miguel Marques]

  Hi,

  The bug is fixed in the cvs. Thanks Del!

  m.

P.S. Note that a workaround is increasing the value of UnoccMaximumIter
to, lets say, 1000. This will normally converged the unoccupied states
in just one run, so you won't have to restart it ;)

On Fri, 2005-01-28 at 22:23 -0600, Del Marshall wrote:
> Hi again,
> 
> Here's the problem: in run.F90, line 220 is
> 
> call restart_load("tmp/restart_unocc", unoccv%st, sys%m, ierr)
> 
> Change this to
> 
> call restart_load("tmp/restart_occ", unoccv%st, sys%m, ierr)
> 
> and the problem is fixed.
> 
> Del Marshall
> 
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