I don't believe (or understand) you.

instgen -nm
init -b
run_lapw

or
instgen
init -b
run_lapw

should give you the same energy.

When you do and FM or AFM calculation, you cannot use   instgen -nm

Am 06.11.2016 um 13:31 schrieb Abderrahmane Reggad:
But when I have used the spin polarized atoms for a non spin-polarized
calculation I have found a different energy .

I have done a non spin polarized initialization using the expert mode
and when comparing the  results with two other calculations fm and afmI
 to determine the most stable magnetic state I have found  it to be the
afmI state with the use of the PBE functionnal. I know beforehand that ,
for the 3d compounds the use of the PBE functionnal leads to the non
magnetic state according to all the calculations done before. But when I
have used the non spin-polarized atoms for non magnetic calculation I
have found the expected results.

summary: The use of spin polarized and non spin-polarized atoms leads
***********                  to different energies



--
Mr: A.Reggad
Laboratoire de GĂ©nie Physique
Université Ibn Khaldoun - Tiaret
Algerie




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