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 <[email protected]>:
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
Via Salaria Km 29,300 - C.P. 10
I-00015 - Monterotondo Scalo (RM)
Mob (*preferred*) +39 373 7305625
Tel + 39 06 90672342 - Fax +39 06 90672316
E-mail: <[email protected]>
_______________________________________________
users mailing list
[email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
