[CP2K-user] GGA based surface science

upcjin... at gmail.com upcjin... at gmail.com
Mon May 6 04:11:24 UTC 2019

Dear CP2K user, 

I have found that this issue is just caused by my mistake that use the 
wrong way to visualize, and now I have reproduce this example.

Thanks a lot.


在 2019年5月5日星期日 UTC+8上午11:24:52,upc... at gmail.com写道:
> Dear community,
> I am going to reproduce the exercise of GGA based surface science (
> https://www.cp2k.org/exercises:2016_summer_school:gga). 
> I followed the instructions provided by the manual, and no error happened.
> However, when I use VMD to visualize the final electron density difference 
> (see below), which is not similar to the benchmark. My results files are 
> uploaded as attached.
> [image: e.JPG]
> Can anyone give me help to reproduce the exercise? Any help would be 
> highly appreciated. :-)
> Many thanks,
> Timmy JIN
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