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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100517/87eed91b/attachment.htm
