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sergey yu shishkov

How to obtain the spin density in Fe crystal bcc?

Where in my input file should I include the option nsppol=2 in order to obtain the spin density for example in Fe-crystalline? Or it is not possible yet on nanoHUB?

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    Benjamin P Haley

    This is not currently possible for the GUI interface. You can upload your own input file with nsppol specified and download the resulting abinit output to extract the spin density.

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