How to calculate the magnetic moment for a molecule or a bulk?

[jerry]

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

[Anders Blom]

See http://quantumwise.com/publications/tutorials/mini-tutorials/141 for instance

[jerry]

Thank you very much!

[puspa raj adhikari]

i cant review this topic and i want to learn this.. plz hint me how to calculate magnetic moment for nanowire using vnl atk

[Jess Wellendorff]

You may want to use Mulliken Population Analysis: http://docs.quantumwise.com/tutorials/fe_mgo_fe/fe_mgo_fe.html?highlight=mulliken#mulliken-population