Helical spin calculations
Posted: Thu Nov 06, 2008 9:26 am
Dear Vasp users,
For spin-spiral calculations, I know that I have to set LSPIRAL = .T., QSPIRAL = propagation vector, and LNONCOLLINEAR = .T.. My question is that after the self-consistent calculations, the resulting magnetization always lies in XY plane. For example, intially we set the MAGMOM = 4 4 4 or MAGMOM = 2 1 3, the results of total energy is the same and the magnetizations are all in the XY plane (z component is 0).
I've tested for many different cases such as bulk, surface, and even monolayers. Is there an input for rotation angle or somthing I miss ?
For spin-spiral calculations, I know that I have to set LSPIRAL = .T., QSPIRAL = propagation vector, and LNONCOLLINEAR = .T.. My question is that after the self-consistent calculations, the resulting magnetization always lies in XY plane. For example, intially we set the MAGMOM = 4 4 4 or MAGMOM = 2 1 3, the results of total energy is the same and the magnetizations are all in the XY plane (z component is 0).
I've tested for many different cases such as bulk, surface, and even monolayers. Is there an input for rotation angle or somthing I miss ?