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nafiserb / ESpinS

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What are the values of spins Si and Sj and Magnetic moment #9

Closed Abhijit2052 closed 2 years ago

Abhijit2052 commented 2 years ago

First of all I would like to thank for the Espins package as I am new to this package i want to know are the spin values Si and Sj normalised to 1? and for all the systems do i have to take the magnetic moment as 1 in the input1 file? Thank you

nafiserb commented 2 years ago

You can use whatever value for Si and Sj. In the block atoms_frac or atoms_cart block, you can specify the magnetic moments for Si. The code doesn't normalize them to 1 during MC simulations. But I recommend setting the magnetic moments to 1.

Abhijit2052 commented 2 years ago

Thanks for the response.