1c 2c common used by guess routines for storing info and passing arguments 3c 4 integer nb ! Maximum no. of primitives on any atom 5C$Id$ 6 integer no ! Maximum no. of orbitals on any atom ? 7 integer maxatsym ! Maximum no. of syms (s/p/d/f) 8 parameter (nb=500, no=60, maxatsym=4) 9c 10 integer nsym ! highest l-quantum no. used in atomic calc 11 integer nbas ! No. of primitives of each sym 12 integer ncsh ! No. of closed shell orbs of each sym 13 integer nosh ! No. of open ... 14 integer nsht ! No. of open+closed shells of each sym 15 integer nccup ! No. of open-shell electrons of each sym ? 16 integer nitscf ! Current/final no. of SCF iterations 17 integer n1 ! nbas(i) * (nbas(i) + 1 ) / 2 18 integer nconv ! =1 if SCF is converged 19 integer nbc ! No. of cont. orbitals in symmetry i 20 integer nbct ! Total number of cont. basis functions 21 integer nstrt ! number for first primitive in cont. no. i 22 double precision zn ! Effective nuclear charge 23 double precision zeta ! Exponents of primitives 24 double precision eps ! Orbital energies 25 double precision cin ! Kinetic energy 26 double precision vir ! Virial 27 double precision energ ! Energy 28 double precision ajmn ! Coupling coefficients 29 double precision damp ! Damping factor for the SCF 30 double precision cont ! Contraction coeffs 31 double precision ucont ! input Contraction coeffs (needed by atscf_ecp code) 32 common /cguess/zn,zeta(nb),eps(no),cin,vir,energ,ajmn(24),damp, 33 $ cont(nb),ucont(nb), 34 & nsym,nbas(maxatsym),ncsh(maxatsym),nosh(maxatsym), 35 $ nccup(maxatsym),nsht,nitscf, 36 $ n1(maxatsym),nconv,nbc(maxatsym),nbct,nstrt(nb) 37c 38