Alex Granovsky
gran@classic.chem.msu.su
did you try CASINO/utils/wfn converters/gamess ?
As described in the CASINO's manual:
GAMESS (US)
An interface to this Gaussian basis set package exists as a set of
Perl scripts. These live, along with a README le with instructions
and some basic examples, in the directory
CASINO/utils/wfn converters/gamess. The converter is (possibly,
but probably not) maintained by Alexander Badinski (abadinski at gmail.com).
Kind regards,
Alex Granovsky
On Tue Apr 1 '14 12:00pm, Amir Nasser Shamkhali wrote
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>Dear All
>I want to use diffusion Monte-Carlo method for excitation energies of transition metals using CASINO program. How we can produce an appropriate wavefunction file for it?