ABINIT Discussion Forums

Hi,

Following the instruction of abinit help->6.7. The wavefunction output file (http://www.abinit.org/documentation/helpfiles/for-v6.6/users/abinit_help.html#wavefctfile), I have extracted the information of occ<--occupation numbers for this k point
, cg<--wavefunction coefficients for a single band and k point and some other variables with matlab, but I don't know how to buid wavefunction phi(K) and phi(R) with these information I got, who can give me a hand? Many thanks!

Hello,

please do not double post.

You should have a look at cut3d: see the help and online documentation. It can probably do what you want it to, and at least dump the wf in real space on a grid.

Matthieu