[Pw_forum] magnetization
Lorenzo Paulatto
paulatto at sissa.it
Thu Apr 29 09:44:24 CEST 2010
On Thu, 29 Apr 2010 05:29:48 +0200, hanghui chen
<chenhanghuipwscf at gmail.com> wrote:
> why does 'tot_magnetization' have to be an integer?
Dear Hanghui Chen,
it is not an integers, but a real.
+--------------------------------------------------------------------
Variable: tot_magnetization
Type: REAL <------------xx
Default: -1 [unspecified]
Description: total majority spin charge - minority spin charge.
Used to impose a specific total electronic
magnetization.
If unspecified then tot_magnetization variable is
ignored and
the amount of electronic magnetization is determined
during
the self-consistent cycle.
+--------------------------------------------------------------------
regards
--
Lorenzo Paulatto
*** Note: my affiliation has changed! please send future
correspondence to: <Lorenzo.Paulatto at impmc.upmc.fr> ***
post-doc @ IMPMC/UPMC - Université Paris 6
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previously:
phd student @ SISSA & DEMOCRITOS (Trieste)
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