Dear Manoj,
The code should give on output exactly what you are searching for. The
total magnetization is the integral of (charge_density_up -
charge_density_down) in the unit cell. The absolute magnetization is obtained
by integrating the absolute value of that difference.
GS
Dear QE users
I am doing some spin polarized calculations. The output itself gives a value
for total magnetization and absolute magnetization in ?B/cell. Can I get
magnetic moment directly from this value ? Is this value different from
magnetic moment obtained by the formula ? = (Mu-Md), where Mu and Md are no.
of electrons in up and down spin states.
Thanks for you attention
Manoj N
Allahabad Uty.
India
_______________________________________________
Pw_forum mailing list
Pw_forum at pwscf.org<mailto:Pw_forum at pwscf.org>
http://pwscf.org/mailman/listinfo/pw_forum
Dr. Gabriele Sclauzero
Materials Theory - ETHZ
ETH Zurich, HIT G 43.2
Wolfgang-Pauli-Str. 27
8093 Z?rich, Switzerland
Phone +41 44 633 94 10
Fax +41 44 633 14 59
gabriele.sclauzero at mat.ethz.ch<mailto:gabriele.sclauzero at mat.ethz.ch>
www.theory.mat.ethz.ch
