[QE-users] xspectra setting

[Ishiyama,Takahisa_石山 貴久]

Dear all,

This post concerns the xspectra.x codes:

I am trying to test xspectra code by reproducing the results for quartz.
With core hole, tot_charge =1 is set but in x-ray absorption, charge is neutral because core hole and the excited electron from core to valence cancels out.
Should I set tot_charge=1 with core hole ?

Thank you,
Takahisa Ishiyama

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