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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