User Activity

  • Posted a comment on discussion VASPKIT Users on VASPKIT

    I truly appreciate your prompt response. I upgrade VASPKIT version 1.4.1 to 1.5.1 and it now works!

  • Modified a comment on discussion VASPKIT Users on VASPKIT

    Hello, I'm attempting to get the magnetic anisotropy energy (MAE) of a ternary alloy using VASPKIT. Following the procedure outlined in the examples/MAE/README, I generated the final processed 'MAE.dat' file. However, it contained unexpected strings of "*" in the MAE(ueV) line. I suspect that the value greater than 10,000 µeV may automatically save as " *". Is there any solution for this problem? Additionally, I manually calculated the MAE by subtracting the most stable energy (0.0_0.0 in my case)...

  • Modified a comment on discussion VASPKIT Users on VASPKIT

    Hello, I'm attempting to get the magnetic anisotropy energy (MAE) of a ternary alloy using VASPKIT. Following the procedure outlined in the examples/MAE/README, I generated the final processed 'MAE.dat' file. However, it contained unexpected strings of "" in the MAE(ueV) line. I suspect that the value greater than 10,000 µeV may automatically save as " ". Is there any solution for this problem? Additionally, I manually calculated the MAE by subtracting the most stable energy (0.0_0.0 in my case)...

  • Posted a comment on discussion VASPKIT Users on VASPKIT

    Hello, I'm attempting to get the magnetic anisotropy energy (MAE) of a ternary alloy using VASPKIT. Following the procedure outlined in the examples/MAE/README, I generated the final processed 'MAE.dat' file. However, it contained unexpected strings of "**" in the MAE(ueV) line. I suspect that the value greater than 10,000 µeV may automatically save as "**** ". Is there any solution for this problem? Additionally, I manually calculated the MAE by subtracting the most stable energy (0.0_0.0 in my...

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junghokim
Joined:
2024-11-12 06:41:48.658000

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