[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
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previously:
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