Re: How did I set the H atom as a “dummy” atom？

[ning.zh... at gmail.com]

Thank you very much. 

Yes, I agree with you. But in the gaussian software, the GHOST atom is 
different with the dummy atom. while they are same in the cp2k.

How can I specify a H in a position as GHOST if there are many H atoms in 
input file?

I use the keywords as follows:

&KIND Hm
  BASIS_SET  DZVP-GTH
  GHOST
  ELEMENT H
&END KIND

A confusion is that Hm will be put into the water-box.xyz file? I also 
attached the input file. Would you help me to have a look??

在 2015年6月12日星期五 UTC+8下午7:15:41，Samuel Andermatt写道：
>
> What you mean with dummy atom is probably the GHOST keyword in the KIND 
> section.
>
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