Dear siesta users,
I m trying to plot charge density and wave function in 3D. For this I do: 1- Run siest.fdf for obtaining the files required by denchar program such as (. DM. DIM. PLD. WSF) .ion of each species . 2- Run denchar.fdf program ( mode of representation ( 3D).)by denchar denchar.fdf I obtain many file such as .PHASE.cube, REAL.cube, IMAG.cube, .DRHO.cube, .RHO.cube, …. but I dont know how to visualize by xcrysden correctly. Please help me. I look forward to your kindly reply and suggestion. Best Regards, somayeh fotoohi ________________________________ From: Oleksandr Voznyy <[email protected]> To: [email protected] Sent: Tuesday, May 14, 2013 6:49 PM Subject: Re: [SIESTA-L] << Error converting VH to XSF >> The tool has to be compiled exactly with the same compiler options as the main siesta executable because VH and RHO are binary files which change depending on compilation options. Have you tried to convert RHO to XSF? Does it have the same problems? Alex. > Found and opened: del.VH > At line 147 of file rho2xsf.f > Fortran runtime error: End of file > ****** > And the line 147 of "ho2xsf.f" is written:
