This thread is locked.Only browsing is available.
Top Page > Browsing
Quantization axis for Wannier function?
Date: 2016/01/14 18:22
Name: Seungjin Kang   <>

After generating Wannier function, we get outfile file named '.mlwf1_3_r.cub'for plotting.
The output files are for spin up and down components.

Then what is the spin quantization axis for each atom in case of non collinear calculation?
Is it same as the one written in Mulliken populations in .out file?
Page: [1]

Re: Quantization axis for Wannier function? ( No.1 )
Date: 2016/01/18 20:51
Name: Artem Pulkin

Your question contains the answer: since you have up and down components the quantization axis is 'z' = third Cartesian coordinate.

Page: [1]