CP2K Basis Set Error

Emily Cottingham ecot... at gmail.com
Mon Nov 14 15:16:28 CET 2016


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 
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20161114/bad2ef7b/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: CO_bulk3.inp
Type: chemical/x-gamess-input
Size: 1466 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20161114/bad2ef7b/attachment.inp>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: CuN_bulk52.out
Type: application/octet-stream
Size: 4478 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20161114/bad2ef7b/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: CUN_bulk6.inp
Type: chemical/x-gamess-input
Size: 1606 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20161114/bad2ef7b/attachment-0001.inp>


More information about the CP2K-user mailing list