Readin MOs

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cymantren
Posts: 34
Joined: 11 Jan 2014, 13:59
First name(s): Alfred
Last name(s): Güthler
Affiliation: privat
Country: Germany

Readin MOs

Post by cymantren » 03 Dec 2020, 09:57

Hello everybody,

I wanted to do an optimization on B5 -dublet, using the former calculated MOs of the cation B5+ and tried to use the .RESTART option and the line

" $DALTON15/dalton -t /home/kernel07/chemie/DALTON/TEMP/ -put SIRIUS.RST WALK-IMAGE_ind0.dal B5_GS_def2-tzvp.mol &" but it did'nt work.

Please tell me, how can one make the former calculated MOs availaible to a current calculation ?

Thank you !

The ouput is attached.

Best greetings

Alfred
Attachments
WALK-IMAGE_ind0_B5_GS_def2-tzvp.out
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