CP2K Basis Set Error

Marcella Iannuzzi marci... at gmail.com
Tue Nov 15 10:18:48 CET 2016

Hi Emily, 

You should look into the data folder of the repository 
There you find several files containing basis sets and pseudo potentials.
Use in the DFT section  the keywords
to select the desired libraries. 


On Monday, November 14, 2016 at 3:16:28 PM UTC+1, Emily Cottingham wrote:
> Conrad,
> I have attached some files to hopefully further explain the issue.  The 
> CuN_bulk52.out is the output of the failed input CUN_bulk6.inp.  I created 
> this from the template of CO_bulk3.inp (which works and runs correctly 
> using Quickstep).  The output file for the CuN complex gives the error "no 
> basis set for element Cu" and I am wondering how to trouble shoot this.
> Emily
> On Saturday, November 12, 2016 at 4:15:59 AM UTC-6, Conrad wrote:
>> Hi Emily, 
>> Would you be able to elaborate more about what didn't work? Input and 
>> output files for review would also be useful.
>> Best wishes, 
>> Conrad 
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