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Available run options for structure optimizations

geo_nasp=option

starting program:
geo_nasp=en
energy step (default)
geo_nasp=gd
gradient step
geo_nasp=rx
relax or statpt step
geo_nrgc=integer

number of optimization cycles (default: 20).
geo_suff=option

switch for Uff start Hessian:
geo_suff=0
no Uff Hessian is used
geo_suff=1
Uff Hessian is used (default)
geo_dqmax=real

maximum allowed atom displacement in a.u. (default: 0.3, see $coordinateupdate).
geo_ecoc=integer

SCF convergence critertia will be $ 10^{-\mathit{integer}}$ a.u. for the energy
(default: integer = 6).
geo_gcoc=integer

gradient convergence criteria in $ 10^{-\mathit{integer}}$ a.u (default: integer = 3).



TURBOMOLE