orbital magnetization
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- Jr. Member
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orbital magnetization
Hello,
I see some of the source codes in nmr.F implementing the calculation of orbital magnetization. The flag in INCAR is ORBITALMAG. I tried a simple system and the orbital magnetization was indeed printed out. But for noncollinear calculations, it seems not work. Is this feature (only the orbital magnetization, no chemical shift) in a production status now? Is the noncollinear case implemented?
Best,
Xiaoming
I see some of the source codes in nmr.F implementing the calculation of orbital magnetization. The flag in INCAR is ORBITALMAG. I tried a simple system and the orbital magnetization was indeed printed out. But for noncollinear calculations, it seems not work. Is this feature (only the orbital magnetization, no chemical shift) in a production status now? Is the noncollinear case implemented?
Best,
Xiaoming
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- Global Moderator
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- Joined: Mon Nov 18, 2019 11:00 am
Re: orbital magnetization
Hi,
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