[Pw_forum] Calculating Hubbard U

[Henning Glawe]

On Fri, Mar 03, 2006 at 12:51:37PM -0500, Matteo Cococcioni wrote:
> >but re-running with a changed hubbard_alpha($atom) seems to have no effect,
> >though setting hubbard_alpha(1)=0.1 in the input, pw.x keeps running with
> >alpha=0 (at least this is what it writes on STDOUT). Does pw.x read this 
> >from
> >the files in 'outdir' ?
> 
> Dear Henning,
> 
> make sure your restart_mode is set to "from_scratch" even when you restart 
> with a finite value of Hubbard_alpha. Otherwise (I think) the code reads 
> the restart file and doesn't realize that you have changed Hubbard_alpha.
> 
> let us know how it goes.

restart_mode was set to 'from_scratch'; pw.x seems to get the
hubbard_alpha(1)=0 anyways...

-- 
c u
henning