you find the charges and magnetic moments inside the spheres as well as the
interstitial in the file case.scfm (indeed also in case.scf)
Your remark
" As these compounds are metallic in nature the arrived magnetism is due to the
itinerant electrons."
might not be the truth, in case of Mn you
The number of majority and minority spins per orbital (within the muffin tin
sphere of the atom only!) is given in a series of numbers in the :QTLxxx line,
where the :PCSxxx line above it tells you what every number means. For instance:
:PCS001: PARTIAL CHARGES SPHERE = 1 S,P,D,F,PZ,PXY,
Dear Wien2K,
I am working on magnetic metallic systems which are having Mn atoms, which
are responsible for magnetic nature in these systems. As these compounds
are metallic in nature the arrived magnetism is due to the itinerant
electrons. Here i just want to know the number of electrons in
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