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How to calculate the magnetic moment for a molecule or a bulk?
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Topic: How to calculate the magnetic moment for a molecule or a bulk? (Read 7847 times)
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jerry
Heavy QuantumATK user
Posts: 85
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How to calculate the magnetic moment for a molecule or a bulk?
«
on:
November 29, 2011, 01:56 »
Dear,
I want to calculate the magnetic moment for a molecular structure and the unit cell of a bulk structure using ATK? Can you give me some references on this ?
Best regards!
Jerry
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Anders Blom
QuantumATK Staff
Supreme QuantumATK Wizard
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Re: How to calculate the magnetic moment for a molecule or a bulk?
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Reply #1 on:
November 29, 2011, 09:32 »
See
http://quantumwise.com/publications/tutorials/mini-tutorials/141
for instance
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jerry
Heavy QuantumATK user
Posts: 85
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Re: How to calculate the magnetic moment for a molecule or a bulk?
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Reply #2 on:
November 29, 2011, 14:39 »
Thank you very much!
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puspa raj adhikari
Regular QuantumATK user
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Re: How to calculate the magnetic moment for a molecule or a bulk?
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Reply #3 on:
September 16, 2016, 08:00 »
i cant review this topic and i want to learn this.. plz hint me how to calculate magnetic moment for nanowire using vnl atk
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Jess Wellendorff
QuantumATK Staff
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Re: How to calculate the magnetic moment for a molecule or a bulk?
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Reply #4 on:
September 16, 2016, 10:53 »
You may want to use Mulliken Population Analysis:
http://docs.quantumwise.com/tutorials/fe_mgo_fe/fe_mgo_fe.html?highlight=mulliken#mulliken-population
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How to calculate the magnetic moment for a molecule or a bulk?