[Wien] AFM

[tran at theochem.tuwien.ac.at]

Usually, the file case.inso does not need to be changed, except
if you want to choose a particular direction for the magnetization axis,
which is probably not your case.

On Sat, 8 Feb 2014, Karima Karim wrote:

> Dear all
> I study to get Dos with GGA+U+SO of rare earth métal  ( f orbital) of AmO2  the phase Antiferromgnetic  space groupe 221-Pm3m my probleme is I dont' know
> complete fichie AmO2.inso 
> so , I have ( Am1 , Am2 , O )
> 
> 
> WFFIL
>  4  1  0                      llmax,ipr,kpot
>  -10.0000   1.50000           emin,emax (output energy window)
>    0.  0.  1.                 direction of magnetization (lattice vectors)
>  NX                           number of atoms for which RLO is added
>  NX1   -4.97      0.005       atom number,e-lo,de (case.in1), repeat NX times
>  0 0 0 0 0                    number of atoms for which SO is switch off; atoms
> please help me
> 
>