The ABINIT Users Mailing List ( CLOSED )

[rangel@pcpm.ucl.ac.be]

I have used both codes to calculate optical properties. 
They both produce similar results. 
So you can use any of them, there are some changes in the smearing and in the
input files. 

In addition you can also use the dp code to calculate the optical properties. 
http://dp-code.org/
I think this dp code has more capacities because you can use different
approximations to calculate the optical spectra(RPA,ALDA, GW-RPA, LRC ).
Moreover, you can take into account local field effects and excitonic effects.

Best wishes,
Tonatiuh Rangel

I think that dp is more reliable because it calculates the spectra 
Quoting xd0533@163.com:

> dear users,
> Who has used version 4.6.5(optic) to calculate optical  property?Is it
> reliable?Or is conducti more reliable?
> Thanks for your answer!
> xd
> 


-------------------------------------------------
This mail sent through IMP: atlas.pcpm.ucl.ac.be