Comments (4)
wangy2014
commented on July 18, 2024
Hi, thank you for your interest in the MuST package. The code does calculate the force, so long as the full-potential calculation is selected.
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bernstei
commented on July 18, 2024
Thanks Yang. It was good to see your talk.
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fospald
commented on July 18, 2024
Is the calculation of the Band structure possible or is there a way to compute this from the DOS output?
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wangy2014
commented on July 18, 2024
We haven't implemented band structure calculations. If there is a significant demand, we will implement it in the MuST package.
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Related Issues (18)
- add topics HOT 1
- INTEL folder not found and C compiler cannot create executables HOT 5
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- pic
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