Search found 3 matches
- Mon Jun 24, 2013 4:20 pm
- Forum: VTSTTools
- Topic: DYNmatrix and prefactor
- Replies: 5
- Views: 14390
Re: DYNmatrix and prefactor
Hi, I'm having a fundamental question here. Please correct me if I'm wrong. D=(a^2)*(Equilibrium concentration of vacancies)*(defect jump Rate). Empirically it is given as D = Do * exp (-Q/KbT) And all the temperature independent terms are clubbed together into Do. Priya, I think the exp(dS/Kb) that...
- Wed Jun 19, 2013 5:15 pm
- Forum: VTSTTools
- Topic: Units of frequency obtained in Dynamical Matrix calculations
- Replies: 3
- Views: 8376
Re: Units of frequency obtained in Dynamical Matrix calculat
Oh, I got it. Thank you very much.
However, two different definitions of wavenumbers are there.
How is it defined here? Is it 1/wavelength, or (2*pi)/wavelength ?
However, two different definitions of wavenumbers are there.
How is it defined here? Is it 1/wavelength, or (2*pi)/wavelength ?
- Wed Jun 19, 2013 2:23 pm
- Forum: VTSTTools
- Topic: Units of frequency obtained in Dynamical Matrix calculations
- Replies: 3
- Views: 8376
Units of frequency obtained in Dynamical Matrix calculations
Hi,
I was just wondering why is the Unit of frequencies obtained from the DynMat calculations in cm ^-1?
Shouldn't it be in units of time ^-1, ie second ^-1 or Hz ?
Thanks..
I was just wondering why is the Unit of frequencies obtained from the DynMat calculations in cm ^-1?
Shouldn't it be in units of time ^-1, ie second ^-1 or Hz ?
Thanks..