Dear Bipul Rakshit, Please take a glance at "starting_magnetization" under the system namelist. You can find the relevant information in the supplied documentation directory.
Best, Baris 2010/5/17 Bipul Rakshit <bipulrr at gmail.com>: > Dear Users, > I am doing a system in which i have 8 Mn. > Following is the atomic positions in fractional co-ordinate. > > Mn1????? 0.12500000000????? 0.25000000000????? 0.27940000000??? + > Mn1????? 0.37500000000????? 0.75000000000????? 0.72060000000??? + > Mn2????? 0.12500000000????? 0.25000000000????? 0.74860000000??? - > Mn2????? 0.37500000000????? 0.75000000000????? 0.25140000000??? - > Mn1????? 0.62500000000????? 0.25000000000????? 0.27940000000??? - > Mn1????? 0.87500000000????? 0.75000000000????? 0.72060000000??? - > Mn2????? 0.62500000000????? 0.25000000000????? 0.74860000000??? + > Mn2????? 0.87500000000????? 0.75000000000????? 0.25140000000??? + > > > Now i want to specify the spin as shown by the last column, (with + & - > signs). > So can? you please tell me what flags i have to use to specify the magnetic > spin for particular atom. > -- > ?Bipul Rakshit > Research Fellow, > S N Bose Centre for Basic Sciences, > Salt Lake, > Kolkata 700 098 > India > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > >
