ILC5

Ionic Lattice Constants

The data of this database are calculated at the optimized geometry for each method.
The input files are available to download below:

>> g09 inputs <<

For published work employing this database, please cite at least one of these articles:
Zhao, Y.; Truhlar, D. G. J. Chem. Phys. 2008, 128, 184109.
and/or
Peverati, R.; Truhlar, D. G. Phil. Trans. Royal Soc. A 2012, Submitted.
The submitted version of this article is available as a pre-print online following the link below, and can be cited using the arXiv citation format:
Peverati, R.; Truhlar, D. G. arXiv:1212.0944 [physics.chem-ph]

		REF
		(Angstrom)
1	NaCl	5.580
2	NaF	4.594
3	LiCl	5.090
4	LiF	3.987
5	MgO	4.197

Subsets:

SSLC18 data: all data in this database, MGLC4, TMLC4 plus 1, 2, 3, 4, 14 in SLC34.