[QE-users] How to explain the total megnetic moment is 1.00 bohr ?

satang 15211445821 at 163.com
Tue May 7 14:15:37 CEST 2019


Dear all,

I am a new user of pwscf and finished the calculations about Al doped SiC.I was trapped by a question. After the size of lattice and the position of atoms are optimized by calculations, the total magnetic moment is -1.00 bohr. How to explain this?Could someone give me a suggestion? Thanks for your kind help!Best wishes,
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