[QE-users] xpetra.x input file

Akhil g.nair akhilg.nair at yahoo.in
Mon Sep 11 13:57:46 CEST 2023


Dear Sir/Madam,
I want to study the core-loss (EELS) region of O in the yttria system. As I am new to QE, what changes should I make in the xspectra input file? Should the calculation be 'xanes_dipole' itself? Does the xspectra module generate the 'O.pbe-nl-kjpaw_psl.1.0.0.core1s.wfc' file, or do I have to create it by running some other module and then give it as an input to xpectra?
Please help me in this regard.
RegardsAkhilHBNI, INDIA
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