[DFTB-Plus-User] Frequencies and Zero-Point Energy

[nkarimov]

Hello,

Could you help me, please, to figure out how to calculate Frequencies 
and Zero-Point Energy (ZPE) corrections with DFTB+?
I performed calculations with SecondDerivatives {} keyword. It gave me 
three output files: detailed.out, hessian.out and band.out.
In these files, I could not find information about ZPE and frequencies.
Also, could you tell me what program can I use to visualize frequencies?

Thanks,
Natalia Karimova

UCI
Chemistry Department

My input file:
--------------------------------------
Driver = SecondDerivatives {
   Atoms = 1:-1
}

Hamiltonian = DFTB {
   Dispersion = DFTD3 {}
   Charge = -2
   ThirdOrderFull = Yes
   HubbardDerivs {
     O = -0.1575
     H = -0.1857
     S = -0.11
     N = -0.1535
   }
   DampXH = Yes
   DampXHExponent = 4.0

   SCC = Yes
   MaxSCCIterations = 250
   SCCTolerance = 1.0e-7
   Mixer = Broyden {
   MixingParameter = 0.3
   }
   Differentiation = Richardson {}
   SlaterKosterFiles = Type2FileNames {
     Prefix = "/export/home/nkarimov/DFTB/3ob-3-1/"
     Separator = "-"
     Suffix = ".skf"
   }
   MaxAngularMomentum {
     S = "d"
     N = "p"
     O = "p"
     H = "s"
   }
   Filling = Fermi {
     Temperature [Kelvin] = 300.0
   }
}

Options {}

ParserOptions {
   ParserVersion = 5
}
------------------------------------