[QE-users] Magnetic moment and Spin polarization in cp.x

[Giuseppe Mattioli]

Dear Clarence
You can't exactly "calculate" them, as you usually do in pw.x by  
starting from an initial guess. But you can fix the spin polarization  
of the system
     nspin=2,
     tot_magnetization=2.0,
HTH
Giuseppe

Quoting LEUNG Clarence <liangxy123 at hotmail.com>:

> Dear QE users,
>
>
> Can we calculate Magnetic moment and Spin polarization in cp.x ?
>
>
> Thank you very much.
>
>
> Clarence
>
> CIty University of Hong Kong



GIUSEPPE MATTIOLI
CNR - ISTITUTO DI STRUTTURA DELLA MATERIA
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E-mail: <giuseppe.mattioli at ism.cnr.it>