paulingen.f90 File Reference

Provides electronegativities for all elements. More...

Data Types
interface	tblite_data_paulingen::get_pauling_en
	Get electronegativity for a species. More...

Modules
module	tblite_data_paulingen
	Pauling electronegativities.

Variables
real(wp), dimension(max_elem), parameter, public	tblite_data_paulingen::pauling_en = [ 2.20_wp,3.00_wp, 0.98_wp,1.57_wp,2.04_wp,2.55_wp,3.04_wp,3.44_wp,3.98_wp,4.50_wp, 0.93_wp,1.31_wp,1.61_wp,1.90_wp,2.19_wp,2.58_wp,3.16_wp,3.50_wp, 0.82_wp,1.00_wp, 1.36_wp,1.54_wp,1.63_wp,1.66_wp,1.55_wp, 1.83_wp,1.88_wp,1.91_wp,1.90_wp,1.65_wp, 1.81_wp,2.01_wp,2.18_wp,2.55_wp,2.96_wp,3.00_wp, 0.82_wp,0.95_wp, 1.22_wp,1.33_wp,1.60_wp,2.16_wp,1.90_wp, 2.20_wp,2.28_wp,2.20_wp,1.93_wp,1.69_wp, 1.78_wp,1.96_wp,2.05_wp,2.10_wp,2.66_wp,2.60_wp, 0.79_wp,0.89_wp, 1.10_wp,1.12_wp,1.13_wp,1.14_wp,1.15_wp,1.17_wp,1.18_wp, 1.20_wp,1.21_wp,1.22_wp,1.23_wp,1.24_wp,1.25_wp,1.26_wp, 1.27_wp,1.30_wp,1.50_wp,2.36_wp,1.90_wp, 2.20_wp,2.20_wp,2.28_wp,2.54_wp,2.00_wp, 1.62_wp,2.33_wp,2.02_wp,2.00_wp,2.20_wp,2.20_wp, 1.50_wp,1.50_wp, 1.50_wp,1.50_wp,1.50_wp,1.50_wp,1.50_wp,1.50_wp,1.50_wp, 1.50_wp,1.50_wp,1.50_wp,1.50_wp,1.50_wp,1.50_wp,1.50_wp, 1.50_wp,1.50_wp,1.50_wp,1.50_wp,1.50_wp, 1.50_wp,1.50_wp,1.50_wp,1.50_wp,1.50_wp, 1.50_wp,1.50_wp,1.50_wp,1.50_wp,1.50_wp,1.50_wp ]
	Pauling electronegativities, used for the covalent coordination number.

Detailed Description

Provides electronegativities for all elements.