Dear All, Hope you are doing well.
I am trying to simulate the eloss data for LiFePo4 and LiTi2(PO4)3. However, despite multiple variations and calculations, I am unable to see the K edge of Li (55 eV) in any of them. Could you kindly suggest if there is something I need to do (read something about core hole excitation but have no knowledge how to do it or if it is needed in this case). I have attached the relevant files (couldnot upload eloss file due to size limitations of the email). The WIEN2K version I am using is 21 and I am now in the process of installing the latest version of 23.1 Thank you. Looking forward to your kind assistance. With warm regards, Pranjal Aquest missatge, i els fitxers adjunts que hi pugui haver, pot contenir informacio confidencial o protegida legalment i s’adreca exclusivament a la persona o entitat destinataria. Si no consteu com a destinatari final o no teniu l’encarrec de rebre’l, no esteu autoritzat a llegir-lo, retenir-lo, modificar-lo, distribuir-lo, copiar-lo ni a revelar-ne el contingut. Si l’heu rebut per error, informeu-ne el remitent i elimineu del sistema tant el missatge com els fitxers adjunts que hi pugui haver. Este mensaje, y los ficheros adjuntos que pueda incluir, puede contener informacion confidencial o legalmente protegida y esta exclusivamente dirigido a la persona o entidad destinataria. Si usted no consta como destinatario final ni es la persona encargada de recibirlo, no esta autorizado a leerlo, retenerlo, modificarlo, distribuirlo o copiarlo, ni a revelar su contenido. Si lo ha recibido por error, informe de ello al remitente y elimine del sistema tanto el mensaje como los ficheros adjuntos que pueda contener. This email message and any attachments it carries may contain confidential or legally protected material and are intended solely for the individual or organization to whom they are addressed. If you are not the intended recipient of this message or the person responsible for processing it, then you are not authorized to read, save, modify, send, copy or disclose any part of it. If you have received the message by mistake, please inform the sender of this and eliminate the message and any attachments it carries from your account.
LiFePO4.struct
Description: LiFePO4.struct
LiTiPO4.struct
Description: LiTiPO4.struct
LiFePO4.dayfile
Description: LiFePO4.dayfile
LiTiPO4.dayfile
Description: LiTiPO4.dayfile
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