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Light-weight tight-binding framework
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covrad.f90 File Reference

Provides covalent radii for all elements. More...

Data Types

interface  tblite_data_covrad::get_covalent_rad
 Covalent radii for DFT-D3 coordination number. More...
 

Modules

module  tblite_data_covrad
 Covalent radii (taken from Pyykko and Atsumi, Chem. Eur. J. 15, 2009, 188-197), values for metals decreased by 10 %.
 

Detailed Description

Provides covalent radii for all elements.