User Activity

  • Posted a comment on discussion VASPKIT Users on VASPKIT

    The interactive methods works, but I want to use the command line so that I can incorporate the commands into a bash script to automate the process. Is there no way to use the vaspkit command line method to calculate charge density difference?

  • Posted a comment on discussion VASPKIT Users on VASPKIT

    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.

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Username:
rkeesey
Joined:
2024-07-10 21:17:07.652000

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