Geometry optimization with constrains on cell parameters
Dries Van Rompaey
dries.va... at gmail.com
Mon Jun 19 16:24:06 UTC 2017
Previous message (by thread):
Geometry optimization with constrains on cell parameters
Next message (by thread):
Getting started with CP2K
Messages sorted by:
[ date ]
[ thread ]
[ subject ]
[ author ]
Hi, I think RUN_TYPE GEO_OPT does what you need. Kind regards Dries
Previous message (by thread):
Geometry optimization with constrains on cell parameters
Next message (by thread):
Getting started with CP2K
Messages sorted by:
[ date ]
[ thread ]
[ subject ]
[ author ]
More information about the CP2K-user mailing list