[Pw_forum] spin dope

[Srijan Kumar Saha]

      Dear  pwscf developers,

      It's written in the input documentation that
      nelup and  neldw  are REAL. The sum must yield nelec that is also
real.
      Then why
      tot_magnetization (nelup - neldw) is INTEGER ( default = -1
[unspecified] )????
      What will somebody do if he wants to fix a fractional
tot_magnetization for
      his system??? In the output files pwscf gives total magnetization as
a  real
      parameter ( unit Bohr mag/ cell). So  tot_magnetization and  total
magnetization
      are not same. Am I right????  In the code,   total  magnetization
      is divided by  omega/ (nr1 nr2 nr3). What does it mean????
      I mean what is omega????

      Looking forward to your kind  reply.
      With best regards,
      Srijan
      Department of Physics
      CCMT
      India


tot_magnetization (or, as an alternative, multiplicity) + tot_charge.
> > Obsolete but still working: nelup/neldw + nelec
> >
> > Paolo
> > ---
> > Paolo Giannozzi, Democritos and University of Udine, Italy
> >
> >
> >
>
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