The ABINIT Users Mailing List ( CLOSED )

[Xavier Gonze <gonze@pcpm.ucl.ac.be>]

Deat Juoydeep,

joydeep@jncasr.ac.in wrote:
> Dear users,
>
> About the wave functions generated by Abinit
> I have a couple of questions:
>
> 1. Which form is it actually written:
>    
>    psi_nk(x) (ie,  e^(ikx) u_nk(x)) 
>    
>    or   u_nk(x) only. I would expect the latter.
>
> 2. What is the convention used:
>
>    psi_nk(x) = e^(ikx) u_nk(x)
>
>     or
>
>    psi_nk(x) = e^(-ikx) u_nk(x), (note the -ve sign)
>
> Thanks in advance.

You should have a look at
~ABINIT/Infos/Theory/1WF.pdf
Other files in that directory might be of help to you ...

Best regards,
Xavier