[Wien] Export electron density in three dimensions

[Tobias Burnus]

Hello,

I'd like to export the total electron density to a three-dimensional
real-space mesh
(i.e. in a file with the columns x, y, z, rho). If I understand
correctly, LAPW5 can only be used to export slabs and not the whole cell.

I tried to understand the program in SRC_lapw5/*.f, but the source code
is to complex to quickly find the right place. Thus I'm grateful for any
hint or suggestions.

Tobias

PS: Adding some indenting (esp. in nested do loops) would increase the
readability a lot, currently it looks like a fixed-form Fortran 66/77 code.
PPS: Using e.g. OpenDX one can create nice 3D pictures using
semi-transparent isospheres and slabs.