[Wien] convert clmsum to gaussian cube

[Yurko Natanzon]

Dear Wien2k users and developers,
I'm trying to convert the total charge density file (case.clmsum) to
the Gaussian cube format in order to plot the isosurfaces of charge
density in 3 dimensions. My first question is if anybody has tried to
do this and can share the code with me? Or maybe it is already
available in wien2k distribution, but I somehow haven;t noticed it?

If not, then I kindly ask you to tell me, how the data is written in
this file? this is a fragment of code of how data is written in the
cube file:

for (ix=0;ix<NX;ix++) {
      for (iy=0;iy<NY;iy++) {
         for (iz=0;iz<NZ;iz++) {
            printf("%g ",data[ix][iy][iz]);
            if (iz % 6 == 5)
               printf("\n");
         }
         printf("\n");
      }
   }

where can i find NX, NY and NZ in clmsum file? And is the order of
loops the same or differs?

or... maybe it is possible to modify lapw5, so it writes all the 3D
density into .rho format, not just a surface?

will be gratefull for any suggestions

Yurko

-- 
Yurko (aka Yuriy, Iurii, Jurij etc) Natanzon
PhD student
Department for Structural Research (NZ31)
Henryk Niewodniczański Institute of Nuclear Physics
Polish Academy of Sciences
ul. Radzikowskiego 152,
31-342 Krakow, Poland
E-mail: Yurii.Natanzon at ifj.edu.pl, yurko.natanzon at gmail.com