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
Readin MOs
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- Posts: 34
- Joined: 11 Jan 2014, 13:59
- First name(s): Alfred
- Last name(s): Güthler
- Affiliation: privat
- Country: Germany
Readin MOs
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- WALK-IMAGE_ind0_B5_GS_def2-tzvp.out
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