DENNIS BOAKYE

I thought you said you're using vaspkit? And it automatically s shifts the FERMi level to zero. On Mon, Nov 17, 2025 at 3:34 PM Reynaldo Pu reyputr@users.sourceforge.net wrote: Hello, Thank you for your response. Could you elaborate on this? Which tool already shifts the Fermi energy? Does this mean that EFERMI = MIDGAP is not necessary? Work function energy higher than the vacuum energy (Fermi energy ~ -0.11 eV) https://sourceforge.net/p/vaspkit/discussion/users/thread/2874f7c4ff/?limit=25#0bbc/f3fb/cce4...

The FERMi energy is already shifted by default. On Mon, Nov 17, 2025 at 2:37 PM Reynaldo Pu reyputr@users.sourceforge.net wrote: Hello everyone, I calculated the DOS and work function of a slab model, and extracted their data using VASPKIT. At the moment I am trying to figure out why I am getting a negative Fermi energy. I also used FERMI = MIDGAP to ensure that the Fermi level stays in the middle of the band gap. I'd like to know what possible mistakes could be the cause of this unphysical results....

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...

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...

I have downloaded the latest source code but still not working. Also there is no...