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$title
 Basisset-optimization for nitrogen SV(P)
$operating system unix
$symmetry oh
#--- uncomment following line to clean the basis-file after optimization ----
#$dump basis set
$coord    file=coord
$user-defined bonds    file=coord
$pople   AO
$basis    file=basis
$rundimensions
   dim(fock,dens)=141
   natoms=1
   nshell=6
   nbf(CAO)=15
   nbf(AO)=14
   dim(trafo[SAO<-->AO/CAO])=17
   rhfshells=2
$scfmo none    file=mos
$roothaan         1
      a = 1      b = 2
$scfiterlimit       60
$scfconv       10
$thize     0.10000000E-04
$thime        5
$scfdamp   start=1.500  step=0.050  min=0.100
$scfdump
$scfintunit
 unit=30       size=90       file=twoint
$scfdiis   start=0.5
$scforbitalshift  closedshell=.4
$drvopt
   cartesian  off
#---- optimize basis! -> basis on ----
   basis      on
   global     off
   hessian    on
   dipole     on
   nuclear polarizability
$interconversion  off
   qconv=1.d-7
   maxiter=25
$optimize
   internal   off
   cartesian  off
   global     off
#---- optimize basis! -> basis on logarithm ----
   basis      on logarithm
$coordinateupdate
   dqmax=0.3
   interpolate  on
   statistics    5
$forceupdate
   ahlrichs numgeo=0  mingeo=3 maxgeo=4 modus=<g|dq> dynamic fail=0.6
   threig=0.005  reseig=0.005  thrbig=3.0  scale=1.00  damping=0.0
$forceinit on
   diag=default
$energy    file=energy
$grad    file=gradient
#---- optimize basis! -> $egrad file=egradient ----
$egrad    file=egradient
$forceapprox    file=forceapprox
$lock off
$atoms
n  1                                                                           \
   basis =n def-SV(P)
$closed shells
 a1g     1-2                                    ( 2 )
$open shells type=1
 t1u     1                                      ( 1 )
$end



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