The ABINIT Users Mailing List ( CLOSED )

[Josef Zwanziger <jzwanzig@dal.ca>]

Well, what exactly do you want to do with the coefficients? It's a lot of
numbers to digest--the wavefunction file contains the complex planewave
expansion coefficients for each band calculated, at each k point, for each 
spin
polarization. So it's not "the wavefunction" it is nsppol*nkpt*nband
wavefunctions, each of each has hundreds to thousands of complex 
coefficiencts,
depending on how high you set ecut to originally. If you really want to look 
at
all those numbers, the abinis help file gives you the precise description in
fortran of how they were written to disk, which you can then program in 
reverse
to read them back in and then dump in a formatted way. Probably more useful is
to visualize them, which works very well in the open source program XCrysDen.
You run cut3d on your WFK file, and simple save the band/kpt of interest in
xcrysden format. Then launch xcrysden and read it in.