[Wien] AFM

[Gavin Abo]

An additional comment.

I suggest that you use initso_lapw.  This script should help you 
generate the case.inso file, but it has to be ran in the terminal while 
in the case directory as I think there is currently no functionality to 
use it in w2web.

On 2/8/2014 1:45 PM, tran at theochem.tuwien.ac.at wrote:
> 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
>>
>>