Comments (1)
Hello @cai-xiaomeng,
I haven't seen the format of the output from BandUp, but I expect not (unless BandUp outputs files in the form of an OUTCAR or one of the other DFT codes that effmass supports).
It may not be difficult to write an interface to BandUp. If you think this would be useful (that you would use the code), please send me across some output files I will take a look at them - Lucy.
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Related Issues (20)
- FHI-aims: IndexError: list index out of range HOT 10
- AssertionError HOT 3
- FHI-AIMS: ValueError HOT 6
- Extracting effective masses just for specific directions on VB and CB in a specific range on x-axis HOT 8
- Version number is hard-coded in welcome message HOT 1
- inconsistent segments HOT 3
- Assertion Error HOT 3
- Segment selection HOT 4
- effmass
- bk option in effective mass HOT 1
- info file output by Octopus HOT 2
- Refactor the `extrema` module
- Improve label placement in output plots
- Improve warning messages
- Automatic linting
- IndexError: list index out of range with FHI-aims HOT 2
- how to efficiently select the input parameters for the targeted bands HOT 2
- Effective masses undetectable in a command line? HOT 1
- Error while reading data from the location folder
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