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#1 2018-11-07 09:26:21

moabe
Member
Registered: 2018-06-03
Posts: 23

restart numerical frequency calculations

Hi Everyone,

I was doing a numerical frequency calculation using state-averaged CASSCF. Due to the wallclock limit, the calculation is stopped. Now, I'm wondering whether it's possible to restart this calculation or I have to start it again from the beginning?

Thanks

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#2 2018-11-07 09:39:06

Ignacio
Administrator
From: Uppsala
Registered: 2015-11-03
Posts: 1,203

Re: restart numerical frequency calculations

I'm afraid you'll have to start from the beginning

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