calculation (id: 25) for 11 Å Tobermorite via GULP * CSH-FF (id:20)

calculation id: 25

added on 2016-08-09 20:43:23.817365 by lt15


type
implementation
system

forcefield
code

description

references
  • none
files

results
type value unit error comment
lattice constant a 6.6 Å -0.02
lattice constant b 7.39 Å -0.004
lattice constant c 24.37 Å 0.07
angle alpha 90.0 ° 0.0
angle beta 90.0 ° 0.0
angle gamma 123.88 ° 0.003