Question about MAGMOM direction
Posted: Thu Jul 06, 2006 1:41 pm
I want to consider the spin effection, and do a Non-collinear calculation.I know I need set the initial magmom for each ion in x,yand z direction respectively,but I don't know what kind of the direction (Direct or Cartesian)? ?!
In addiation,the total atoms number is 156 after extend the chemical unit cell for constructing magnetic unit cell.Only 48 atoms need to be considered the magmom,I don't know How to set magmom? ?! I had heard that the maximum numgber of characters is 256,it may exceed the limitation.
In addiation,the total atoms number is 156 after extend the chemical unit cell for constructing magnetic unit cell.Only 48 atoms need to be considered the magmom,I don't know How to set magmom? ?! I had heard that the maximum numgber of characters is 256,it may exceed the limitation.