Dataset Raw data from Fabian Fogarty's PhD thesis/Computational/castep/nitrogen/ketone/clean/input Back to top level Raw data from Fabian Fogarty's PhD thesis Up one level Raw data from Fabian Fogarty's PhD thesis/Computational/castep/nitrogen/ketone/clean Data Resources diamond.cell TXT Explore Preview Download diamond.param TXT Explore Preview Download qcastep.sh TXT Explore Preview Download