[QE-users] The magnetic moment is -1 bohr, how to explain it ?

satang 15211445821 at 163.com
Fri May 10 10:38:45 CEST 2019


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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