Hello, You should prepare the input file for grid2cube. there is the explanation in Util/Grid/grid2cube.f.
here is an example: // tasaka@theta $ cat input.bader batio3 bader 0.0 0.0 0.0 2 unformatted tasaka@theta $ grid2cube < input.bader Reading grid data from file batio3.BADER Cell vectors 7.57000000000000 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 7.57000000000000 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 7.57000000000000 Grid mesh: 36 x 36 x 36 nspin = 1 Writing CUBE file batio3.BADER.cube tasaka@theta $ vmd batio3.BADER.cube // Note, grid2cube can only handle orthogonal cells. HTH Tomo ----- Original Message ----- > > Dear Birjit > > > I have same problem that you have . did you find any answer for your question > ? > thanks in advance for any guidance. > > somayeh fotoohi > > > > > > > > On Thursday, August 29, 2013 2:37 AM, Birjit Singh <[email protected]> wrote: > > Dear siesta users, > Does anyone know how to process Systemlabel.BADER to find the charge > distribution. I am interested to find the BADER charge density and siesta-3.2 > gives > Systemlabel.BADER as a formatted file. The grid2cube in the Util/ directory > does not read it. > If someone has a code to read this file, please let me know. > > With best regards,
