Charge Density Difference Using VASPkit Command Line
Posted: Tue Jun 25, 2024 6:48 am
I am trying to run charge density difference calculations using VASPkit from my command line. When I enter:
vaspkit -task 314 -file CHGCAR_AB -file CHGCAR_A -file CHGCAR_B
I get an error message that the file is not
found. Is there a way that I can fix this? VASPkit runs correctly when I use the user interface, but I am trying to find a way where the 314 task can be run from the command line.
vaspkit -task 314 -file CHGCAR_AB -file CHGCAR_A -file CHGCAR_B
I get an error message that the file is not
found. Is there a way that I can fix this? VASPkit runs correctly when I use the user interface, but I am trying to find a way where the 314 task can be run from the command line.