[Pw_forum] magnetization

hanghui chen chenhanghuipwscf at gmail.com
Thu Apr 29 05:29:48 CEST 2010


Dear QE developers,
       I have a very naive question: the variable 'tot_magnetization' is of
the type INTEGER. If I understand correctly,
nelup+neldw = total number of electrons
nelup - neldw = total magnetization.
Since both nelup and neldw are REAL type (could be fractional), why does
'tot_magnetization' have to be an integer? In many real system, the
total magnetization is not an integer.

Thank you.

Hanghui Chen
Department of Physics
Yale University
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