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- Thu Aug 02, 2018 7:21 pm
- Forum: Ground state
- Topic: graphene spin polarization
- Replies: 0
- Views: 2169
graphene spin polarization
Hi abinit users, I try to calculate the magnetic moment in a graphene supercell 5*5 in the presence of an adsorbed hydrogen. The problem is that I always find zero total magnetization. My input file,log files are attached below. The atomic positions are relaxed by optcell 0 and 9. Total magnetizatio...