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Spin-Dependent Core Calculation output .agr only contains one spin channel #54

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ajm143 opened this issue Aug 19, 2022 · 0 comments
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ajm143 commented Aug 19, 2022

Describe the bug

When doing a spin dependent core calc the dat file is correct and holds all the spin channels. But the .agr file seems only to have the up channel.
call xmgu_data(core_unit, loop, E_shift(:), dos_temp(:, 1)) ! only 1 element at the moment RJN 28Aug14

To Reproduce
Run a spin-dependent core calc. See the lack of columns in the .agr file!

Expected behavior
Should give the "best" spectrum/a that we have. I suggest it could do a spin up and a spin down broadened.

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N/A

@ajm143 ajm143 self-assigned this Aug 19, 2022
@ajm143 ajm143 added the bug Something isn't working label Aug 19, 2022
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