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

Open ajm143 opened 2 years ago

ajm143 commented 2 years ago

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.

Screenshots N/A