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Problem in viewing bxsf file #39

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mcalandra opened this issue Aug 2, 2024 · 1 comment
Open

Problem in viewing bxsf file #39

mcalandra opened this issue Aug 2, 2024 · 1 comment

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@mcalandra
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Dear Developer,

I was testing the fermisurfer package on mac os. Seems to work fine for the examples you gave.
However, when I insert a bxsf file just calculated it hangs and does not plot anything.
The bxsf file produced by espresso seems ok to me.
You can find the bxsf file here

https://drive.google.com/file/d/1_O2DlMUWTpiUNZvhdfx3jhA2hlfRN0PW/view?usp=sharing

Can you spot the problem ?
Thanks,
Best,
M

@mitsuaki1987
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Owner

For reading BXSF, FermiSurfer assumes that there are pairs of BEGIN_* and END_* lines.
However, although END_BANDGRID_3D exists in your input file, its counterpart appears as BANDGRID_3D_BANDS.
I attached the fixed input file. fs_SOC_nk_24_36_16_sm_0.001_mp2.zip

The difference is as follows:

12c12
<  BANDGRID_3D_BANDS
---
>  BEGIN_BANDGRID_3D

Best regards,
Mitsuaki Kawamura (U-Tokyo)

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