VASPKIT / Discussion / VASPKIT Users: Charge Density Difference Using VASPkit Command Line

Ruby Keesey - 2024-07-10

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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- DENNIS BOAKYE - 2024-07-11
  
  Use the interactive method instead. Type vaspkit and select the appropriate
  task you want to perform and specify the corresponding charge densities
  
  On Wed, Jul 10, 2024 at 4:19 PM Ruby Keesey rkeesey@users.sourceforge.net
  wrote:
  
  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.
  
  Charge Density Difference Using VASPkit Command Line
  https://sourceforge.net/p/vaspkit/discussion/users/thread/f16d16a46f/?limit=25#86b6
  
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  - Ruby Keesey - 2024-07-11
    
    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?
    
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    - DENNIS BOAKYE - 2024-07-12
      
      Chaining sub-tasks is not available now.
      
      On Thu, Jul 11, 2024 at 1:05 PM Ruby Keesey rkeesey@users.sourceforge.net
      wrote:
      
      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?
      
      Charge Density Difference Using VASPkit Command Line
      https://sourceforge.net/p/vaspkit/discussion/users/thread/f16d16a46f/?limit=25#86b6/ab8f/ee32
      
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Charge Density Difference Using VASPkit Command Line

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Charge Density Difference Using VASPkit Command Line

Charge Density Difference Using VASPkit Command Line

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Charge Density Difference Using VASPkit Command Line