Hello, Can someone give me some information on the XC_GRID section? What are the XC_DERIV and XC_SMOOTH_RHO used for? Is there any information on these settings? Thanks, Joe -------------- next part -------------- An HTML attachment was scrubbed... URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210211/9e154356/attachment.htm>