[Wien] wavefunctions

[Jorissen Kevin]

Careful : there are many restrictions (as is indeed pointed out by the UG) : 
no parallel vector files, no spin-orbit coupling, no APW+lo.
 
While it may indeed be easy to make the necessary adaptations ( as the UG suggests), I guess this is not evident for the less experienced user.
 
 
 
Kevin Jorissen
 
EMAT - Electron Microscopy for Materials Science   (http://webhost.ua.ac.be/emat/)
Dept. of Physics
 
UA - Universiteit Antwerpen
Groenenborgerlaan 171
B-2020 Antwerpen
Belgium
 
tel  +32 3 2653249
fax + 32 3 2653257
e-mail kevin.jorissen at ua.ac.be
 

________________________________

Van: wien-admin at zeus.theochem.tuwien.ac.at namens saeid jalali
Verzonden: za 19-3-2005 22:13
Aan: wien at zeus.theochem.tuwien.ac.at
Onderwerp: Re: [Wien] wavefunctions



Yes, it can reading from usersguide:
"The program lapw7 generates wave function data on
spatial grids for a given set of k-points and
electronic bands."

Your,
Saeid.


--- "R.K.Thapa" <rktt at sancharnet.in> wrote:
> Deare Prof. Peter Blaha,
> Can you please tell me if wien2k code can be used to
> generate
> wavefunctions only for electron states? If so, then
> which program can
> generate it.
> Thanks,
> R.K.Thapa
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
>
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>


               
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