(c) 2017, Helio A Duarte, Universidade Federal de Minas Gerais
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#########################################################################
#                                                                       #
# Semi-relativistic, self-consistent  charge Slater-Koster tables for   #
# density-functional based tight-binding (DFTB) for materials science   #
# simulations." GPQIT, UNIVERSIDADE FEDERAL DE MINAS GERAIS,  2009-2013 #
#                                                                       #
#  Maicon P. Lourenco    (maiconpl01@gmail.com, maicon_pl@yahoo.com.br) #
#  Augusto F. Oliveira   (augustof.chem@gmail.com)                      #
#  Helio A. Duarte       (duarteh@ufmg.br, helioaduarte@gmail.com)      #
#                                                                       #
#########################################################################

Required references
-------------------

Complete set: 
[1] 
   J. Frenzel, A. F. Oliveira N. Jardillier, T.Heine & G Seifert
   "Semi-relativistic, self-consistent charge Slater-Koster tables for
   density-functional based tight-binding (DFTB) for materials
   science simulations."  TU-Dresden 2004-2009.

Mg-O-Si-H: 
[2]
  Lourenco, M. P.; de Oliveira, C.; Oliveira, A. F.; Guimarães, L.;
  Duarte, H. A.; Structural, Electronic, and Mechanical Properties
  of Single-Walled Chrysotile Nanotube Models.
  Phys. Chem. C, 2012, 116 (17). DOI: 10.1021/jp301048p
  Guimaraes, L., Enyashin, A. N., Frenzel, J., Heine, T., Duarte, H. A.
  & Seifert, G., "Imogolite Nanotubes: Stability, electronic and
  mechanical properties", Nano, 2007, 1, 362-368.
  http://dx.doi.org/10.1021/nn700184k

Details of the atomic calculations:
-----------------------------------

DFT, semi-relativistic, V_xc=Ceperly-Alder, potential super-position,
STO basis-functions with 5 values for xi and i=0,1,2,3
(Seifert,Phys.Chem.A,111(26),5609-5613,2007)
additional harmonic potential (r/r0)^n0 with n0=2 and r0(H)=1.3,
r0(O)=2.7, r0(Mg)=5.1 and r0(Si)=4.2 for s,p functions
and r0(Si)=2.1 for d-functions (r0 in atomic units).

Repulsive potentials are fitted to work with the following systems:
------------------------------------------------------------------

1)  Mg-O-Si-H (Ref. [2])
      Chrysotile nanotubes
