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#1 2021-02-01 07:13:39
- chemphys
- Member
- Registered: 2020-11-10
- Posts: 27
Restarting Calculation without seward?
Hello,
I am using gateway and some calculations are quite expensive to where only seward finishes and RASSCF or SCF barely beings/does not finish. What is the proper way to restart this calculation when using &GATEWAY where I don't have to run &SEWARD again?
Thanks!
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#2 2021-02-01 10:22:13
- Ignacio
- Administrator
- From: Uppsala
- Registered: 2015-11-03
- Posts: 1,079
Re: Restarting Calculation without seward?
Just reuse the same WorkDir (and make sure the old one is not deleted). Do not run GATEWAY or SEWARD, and start directly with SCF or RASSCF.
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