Basis sets for gold clusters

Jian Lv lvjia... at gmail.com
Mon May 14 07:51:53 UTC 2012


Dear all,

I'm new to cp2k. I want to do structural optimization for gold clusters using cp2k.
Could anyone tell me which basis set is suitable?

Thank you for your any help!

  
Best Regards

Jian Lv 

*************************************************************
Jian Lv (吕健) grad. student
State Key Lab of Superhard Materials, Jilin University
2699 Qianjin Str.
130012, Changchun
P. R. China
Email: lvjia... at 163.com | Jian... at mails.jlu.edu.cn 

2012-05-14 



Jian Lv 
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