QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: mbjavan on May 24, 2013, 10:41

Title: band structure for up or down spin states separately
Post by: mbjavan on May 24, 2013, 10:41

Dear atk users
is it possible to extract Spin up or spin down band structure from a specified "nc" file, separately?
how can i use evaluate(spin) for this subject?
is there a phyton script for extracting data and ploting band structure for up or down spin separately?

thanks

Title: Re: band structure for up or down spin states separately
Post by: Anders Blom on May 24, 2013, 11:22

When you compute and save the Bandstructure object, both spins are automatically included. So to extract only one spin components, you do as you mentioned "evaluate(spin=Spin.Up)". Like:

Code: python

bs = nlread("file.nc", Bandstructure)[0]
bs_up = bs.evaluate(spin=Spin.Up)
bs_dn = bs.evaluate(spin=Spin.Down)

After that it all depends what you want to do with it...