[CP2K-user] Nearest neighbour error
bobs your uncle
fergus... at hotmail.com
Tue Jun 4 01:41:56 UTC 2019
Hi folks,
Having issues with an error I can seem to resolve. I have adapted a restart
file to run a new cell_opt job with a different basis-set/potential. As the
subject indicates, I receive an error. I have tried numerous variations
(changing basis, simplifying my level of theory etc) to no avail. Would
anyone know why this is happening?
*******************************************************************************
* ___
*
* / \
*
* [ABORT]
*
* \___/ No neighbor list set is associated. Did you specify *all*
required *
* | basis-sets, eg. for ADMM?
*
* O/|
*
* /| |
*
* / \ qs_neighbor_list_types.F:1033
*
*******************************************************************************
Cheers,
Fergus
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20190603/de976288/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: L-tartaric-lt-preopt.inp
Type: chemical/x-gamess-input
Size: 4589 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20190603/de976288/attachment.inp>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: L-tartaric-lt-preopt.out
Type: application/octet-stream
Size: 53090 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20190603/de976288/attachment.obj>
More information about the CP2K-user
mailing list