The ABINIT Users Mailing List ( CLOSED )

[verstraete@pcpm.ucl.ac.be]

the cut3d utility has options for wfk files. Give the wfk file as the 
first input, specify binary, and you get a menu for operations on wfk in 
real space. You can output the Re Im parts, the norm, in opendx or 
xcrysden formats... See the related doc.

If you're talking about inputting the wfk back into abinit, see the 
"irdwfk" and "getwfk" variables.

Matthieu



On Mon, 13 Sep 2004 jimkl@ust.hk wrote:

> Dear all,
>
> I am a rookie to ABINIT (and even Fortran!). I have run a ground state 
> calculation of GaAs on ABINIT and want to use(read) the wavefunctions for 
> further calculation. I wonder whether there is any routine in ABINIT to read 
> back the wavefunctions in the unformatted WFK file. If not, how could I get 
> through the header and get the wavefunctions.
>
> Thank you very much!
>
> Regards,
> Michael Jim

--
===================================================================
Matthieu Verstraete               mailto:verstraete@pcpm.ucl.ac.be 
PCPM, Boltzmann, pl. Croix du Sud, 1            tel: 010/ 47 33 59
B-1348 Louvain-la-Neuve  Belgium                fax: 010/ 47 34 52