Spin Polarization and Spin Density in CP2K, Can it do ?

Linus.Xing 邢登辉 linu... at gmail.com
Sun Jan 25 15:17:47 UTC 2015


As I post, 
1. if I want to constrian the spin polarization calculation in CP2K, how tp 
perform it ? Use  keyword, UKS  Ture ?

2. How to get the spin  density ? 

3. Can I get the Bader Charge Analysis, or Hirshfield Charge Analysis ?

Best wishes !
Thank you
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