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$title
$operating system unix
$symmetry d3h
$coord    file=coord
$intdef    file=coord
$atoms
ta 1                                                        \
   jbas=ta def-SVP                                          \
   basis =ta def-SVP                                        \
   ecp   =ta def-ecp
cl 2-6                                                      \
   jbas=cl def-SVP                                          \
   basis =cl def-SVP
$pople   AO
$basis    file=basis
$ecp    file=basis
$rundimensions
   dim(fock,dens)=7662
   natoms=6
   nshell=51
   nbf(CAO)=122
   nbf(AO)=115
   dim(trafo[SAO<-->AO/CAO])=346
$scfmo   none   file=mos
# none : hamilton core guess will be made
# file mos will be generated by the program
$scfiterlimit       30
$scfconv        6
$thize      .10000000E-04
$thime        5
$scfdamp   start= .900  step= .050  min= .100
$scfdump
$scfintunit
 unit=30       size=0        file=twoint
$scfdiis   start=0.5
$drvopt
   cartesian  on
   basis      off
   global     off
   hessian    on
   dipole     on
   nuclear polarizability
$interconversion  off
   qconv=1.d-10
   maxiter=25
$optimize
   internal   on
   cartesian  off
   global     off
   basis      off   logarithm
$coordinateupdate
   dqmax=0.3
   interpolate  on
   statistics    5
$forceupdate
   ahlrichs numgeo=0  mingeo=3 maxgeo=4 modus=<g|dq> dynamic fail=0.1
   threig=0.005  reseig=0.005  thrbig=3.0  scale=1.00  damping=0.0
$forceinit on
   diag=default
$energy    file=energy
$grad    file=grad
$forceapprox    file=force
$lock off
$dft
   functional b-p
   gridsize   m3
$last step     define
$ricore    20
$ridft
$jbas file=auxbasis
$closed shells
 a1'     1-11                                   ( 2 )
 a2'     1-2                                    ( 2 )
 e'      1-10                                   ( 2 )
 a2"     1-8                                    ( 2 )
 e"      1-4                                    ( 2 )
$end



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