[CP2K-user] [CP2K:17769] CPASSERT Error in GEO OPT
Colin Farrington
cmf261 at scarletmail.rutgers.edu
Wed Sep 28 13:05:59 UTC 2022
Hey all,
I keep getting this error when trying to do a simple GEO_OPT for a periodic
unit cell.
*******************************************************************************
* ___
*
* / \
*
* [ABORT]
*
* \___/ CPASSERT failed
*
* |
*
* O/|
*
* /| |
*
* / \
topology_cif.F:240 *
*******************************************************************************
===== Routine Calling Stack =====
5 read_coordinate_cif
4 coordinate_control_READ_COORDINATE
3 coordinate_control
2 topology_control
1 CP2K
Attached is my input file and cif file. Thanks for any help
-Colin
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