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When using a spin polarized calculations , the Calculations doesn't parse pdos_tot file appropriately
instead it saves in 'y_array_0' the dos_up, and it doesn't parse the dos_down column
The text was updated successfully, but these errors were encountered:
Intuitively, I would also think that we'd need some spin-dependent logic here, since I don't see a reason why we should only parse DOS up (maybe it was sufficient at that time as the DOS is calculated via dos.x in the WorkChain anyway, just speculating). Nonetheless, pinging @mbercx to see whether there is any historical context.
When using a spin polarized calculations , the Calculations doesn't parse pdos_tot file appropriately
instead it saves in 'y_array_0' the dos_up, and it doesn't parse the dos_down column
The text was updated successfully, but these errors were encountered: