CELL_OPT convergence issues (energy unstable becomes positive)

illidanus... at gmail.com illidanus... at gmail.com
Wed Jun 7 15:03:17 UTC 2017


Hi Everyone,

Any ideas because I'm really stuck on this one? 


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20170607/93361100/attachment.htm>


More information about the CP2K-user mailing list