********************************************************************************
*                                                                              *
*  2DHF version 1-2003                                                         *
*  Copyright (C) 1996  Jacek Kobus, Leif Laaksonen, Dage Sundholm              *
*                                                                              *
*  This software may be used and distributed according to the terms            *
*  of the GNU General Public License, see README and COPYING.                  *
*                                                                              *
********************************************************************************
c ### blk_data.inc ###
c
c     Initialize some data used by 2DHF
c
      block data 
      implicit integer*4 (i-n)
      implicit real*8 (a-h,o-z)
      include 'commons8.inc'

c    i/o channels in use:

      data iinp5/5/,iout6/6/,
     &           iinp11/11/,iinp12/12/,iinp13/13/,iinp14/14/,
     &           iout21/21/,iout22/22/,iout23/23/,iout24/24/ 

      data pii,precis /3.1415926535897932d0,1.d-14/
      data zero,half,tenth,one,two,three,ten /0.d0,0.5d0,0.1d0,1.d0,
     &     2.d0,3.d0,10.d0/

      data au2Debye /2.541765d0/
      data bohr2ang /0.529177249d0/

      data element/' ',
     #'H ','He','Li','Be','B ','C ','N ','O ','F ','Ne',
     #'Na','Mg','Al','Si','P ','S ','Cl','Ar','K ','Ca',
     #'Sc','Ti','V ','Cr','Mn','Fe','Co','Ni','Cu','Zn',
     #'Ga','Ge','As','Se','Br','Kr','Rb','Sr','Y ','Zr',
     #'Nb','Mo','Tc','Ru','Rh','Pd','Ag','Cd','In','Sn',
     #'Sb','Te','I ','Xe','Cs','Ba','La','Ce','Pr','Nd',
     #'Pm','Sm','Eu','Gd','Tb','Dy','Ho','Er','Tm','Yb',
     #'Lu','Hf','Ta','W ','Re','Os','Ir','Pt','Au','Hg',
     #'Tl','Pb','Bi','Po','At','Rn','Fr','Ra','Ac','Th',
     #'Pa','U ','Np','Pu','Am','Cm','Bk','Cf','Es','Fm'/

c   atomic masses of most abundant isotopes extracted from
c   The 1983 Atomic Mass Evaluation by Wapstra and Audi

      data atweight/0.d0,
     #1.007825035d0,4.00260324d0,7.0160030d0,9.0121822d0,1.10093054d01,
     #1.2d01,1.4003074002d01,1.599491463d01,1.899840322d01,1.99924356d01,
     #2.29897677d01,2.39850423d01,2.69815386d01,2.79769271d01,3.09737620d01, 
     #3.19720707d01,3.4968852721d01,3.99623837d01,3.89637074d01,3.99627906d01,
     #4.49559100d01,4.79479473d01,5.09439617d01,5.19405098d01,5.49380471d01,
     #5.59349393d01,5.89331976d01,5.79353462d01,6.29295989d01,6.39291448d01,
     #6.8925580d01,7.39211774d01,7.49215942d01,7.99165196d01,7.89183361d01,
     #8.3911507d01,8.4911794d01,8.79056188d01,8.8905849d01,8.99047026d01,
     #9.29063772d01,9.79054073d01,9.7907215d01,1.019043485d02,1.02905500d02,
     #1.05903478d02,1.06905092d02,1.13903357d02,1.14903882d02,1.199021991d02,
     #1.209038212d02,1.29906229d02,1.26904473d02,1.31904144d02,1.32905429d02,
     #1.37905232d02,1.38906347d02,1.39905433d02,1.40907647d02,1.41907719d02,
     #1.44912743d02,1.51919728d02,1.52921225d02,1.57924019d02,1.58925342d02,
     #1.63929171d02,1.64930319d02,1.65930290d02,1.68934212d0,1.73938859d02,
     #1.74940770d02,1.799465457d02,1.80947992d02,1.83950928d02,1.86955744d02,
     #1.91961467d02,1.92962917d02,1.94964766d02,1.96966543d02,2.01970617d02,
     #2.02972320d02,2.07976627d02,2.08980374d02,2.08982404d02,2.09987126d02,
     #2.22017571d02,2.23019733d02,2.26025403d02,2.27027750d02,2.320380508d02,
     #2.31035880d02,2.380507847d02,2.370481678d02,2.44064199d02,2.43061375d02,
     #2.47070347d02,2.47070300d02,2.51079580d02,2.52082944d02,2.57095099d02/

      data maxmu /450/
      data maxni /400/
      data maxgrids /1/
      data maxfock /160000/
      data maxnpbasis /200/
      data maxorb /60/
      data homolevl /1.0d-6/

      end