[DFTB-Plus-User] Hessian calculations and time limit

[Alessandro LANDI]

Dear DFTB+ users,
I am trying to calculate the normal modes for a supercell of rubrene
crystal, consisting of 1120 atoms. I have optimized the supercell and now I
am computing the Hessian using in the input:

Driver = SecondDerivatives {
    Atoms = 1:-1
    Delta = 1E-5
}

Problem is, I am working on a remote pc where calculations cannot last more
than three days and it seems that, even using up to 80 cores, it is not
enough to finish the hessian calculation in time.
In light of this problem, I am wondering :
1) Is it possible to evaluate the second derivatives in more than one run?
(Like the geometry optimization where I can run a subsequent calculations
starting from the last geometry of the previous calculation...)
2) If this is not possible, can you suggest me another workaround to solve
this problem?

Thank you for any help you can give me

Best regards,
Alessandro

-- 
Alessandro Landi, Assegnista di Ricerca
Dipartimento di Chimica e Biologia "Adolfo Zambelli"
Università degli Studi di Salerno
Via Giovanni Paolo II, 132 - 84084 - Fisciano (SA)
Phone number 089969390
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