UT theoretical chemistry code forum

Dear everyone

I want to ask a help on charge density file with the cube format,,,,,

So I already use the chg2cube.pl script to convert CHGCAR file into cube format and then I want to visualize the result.....I'm hoping to see the result of crystal where I could manipulate the isosurface density of the atom

I try to use V_sim http://www-drfmc.cea.fr/sp2m/L_Sim/V_Sim/index.en.html and it appears that I need the potential file (*.pot or *.dat),,,,,,Is there someone knows the potential file that suitable for V_sim???

I also try to use VICS and VEND on windows but my computer appears to hang for long times

I also try to use Jmol but it does not recognize the cube format that I have from chg2cube,pl script

So,,,,,I would like to know any kind of advices to visualize the cube charge density file..............Please share your comments or advice

Thanks so much for everyone,,,,,thanks for UT AUSTIN,,,,

GBU

We often use VMD to load the CHGCAR files directly. There is also an older program called vaspview which can load CHGCAR files as well. Both of these programs are free and can plot isosurfaces.