Thanks for advice!
å×ÇÅÎÉÊ çÒÏÍÏ×
jacky99 at mail.ru
Sun Aug 20 13:50:55 BST 2000
Dear Sir,
Thanks a lot for your attention to my problem and for your advice. I will
follow your recommendations.
Best regards
Evgueni Gromov.
>
> It certainly works for me, using 2000.1 or 2000.9. Probably your starting
> orbitals cause the problem. Try
> file,1,h2co.int,new
> file,2,h2co.wfu,new
> file,3,h2co.res,new !(this is not needed).
>
> The energy is -94.41657251
> H.-J. Werner
More information about the Molpro-user
mailing list