Hi Rudra, you can do spin polarized cal. by setting nspin=2 in & system card. The code prints out the total magnetism for the system in mu_B/cell. If you want to find out the magnetic moment on each atom, use projwfc.x executable. At the end of the o/p file it prints out the polarization on each atom.
Hope that helps. Prasenjit. On 1/9/07, Rudra <rudrabnrj at gmail.com> wrote: > > hello friends, > i want to calculate magnetic moment of atoms in a cluster.can I use pwscf > for this purpose?and how? > plz let me now > thanking you > > -- > rudra > Please, > if possible, don't send me MS Word or PowerPoint attachments > ---------- > Why?See: http://www.gnu.org/philosophy/no-word-attachments.html > have a nice time -- PRASENJIT GHOSH, Ph. D STUDENT, THEORETICAL SCIENCES UNIT, JNCASR, BANGALORE-560064, INDIA. PHONE: OFFICE : +91-80-22082835/34 MOBILE: +91-9880519401 -------------- next part -------------- An HTML attachment was scrubbed... URL: /pipermail/attachments/20070109/195292fe/attachment.htm
