Page 1 of 1

Readin MOs

Posted: 03 Dec 2020, 09:57
by cymantren
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