Hi, You can use the program 'grid2val' in the directory Util/Grid of the Siesta distribution:
c Usage: c c grid2val gridfile (gridfile is, for example, a .RHO file) c c Points where the function is to be evaluated are read from c standard input, in the following (free) format c c int1, int2, xf1, xf2, xf3, c c where int1 and int2 are two arbitrary integers (for example, c the atom index and atomic species number, and xf1, xf2, xf3 c are *fractional* coordinates. c This format is meant to be compatible with the .STRUCT files. c c The values of the function are written to standard output. c Other information is written to standard error. Best regards, Alberto ----- El 13 de Junio de 2021, a las 19:54, Jyotirmoy Deb deb.jyotirmo...@gmail.com escribió: | I want to get the numerical value of electron density rho (x,y,z) along X, Y, Z | grid points in a human-readable file format. i.e in a text or dat file I want | to save X, Y, Z vs rho (x,y,z). How to do it? | | | I am eagerly waiting for your response. | | Thanking you | | with regards | | Jyotirmoy | | | | | | | | | | | | | | Jyotirmoy Deb | | DST-INSPIRE Senior Research Fellow | | Department of Physics | | Assam University, Silchar | | Assam, India-788011 | | Ph. No: +919435589869 | | Email: [ mailto:deb.jyotirmo...@gmail.com | deb.jyotirmo...@gmail.com ] | | [ mailto:jyotirmoy....@aus.ac.in | jyotirmoy....@aus.ac.in ] | | | -- | SIESTA is supported by the Spanish Research Agency (AEI) and by the European | H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)