[Wien] AFM

Karima Karim karimaphy at yahoo.fr
Sat Feb 8 21:20:34 CET 2014


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 
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