POSCAR_zero.txt (7.74 kB)
Structure, hydrogen bonding and thermal expansion of ammonium carbonate monohydrate
dataset
posted on 2015-05-24, 18:40 authored by Andrew Dominic FortesAndrew Dominic Fortes, Ian Wood, Dario Alfe, Eduardo HernándezEduardo Hernández, Matthias Gutmann, Hazel SparkesVASP output, zero-pressure athermal relaxation of the ammonium carbonate monohydrate structure.
Fortes, A. D., I. G. Wood, D. Alfé, E. R. Hernàndez, M. J. Gutmann, & H. A. Sparkes (2014): Structure, hydrogen bonding and thermal expansion of ammonium carbonate monohydrate Acta Crystallographica B 70(6), 948-962 (doi:10.1107/S205252061402126X)