[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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