Dear Community, Hello.
I was getting ghostbands error (version 21.1), so I changed the energy levels as per the various past online threads and guidelines. After changing the energy levels, I DID NOT receive any errors and the calculations ran fine. However in the scf1, I see that in many cases E(TOP) = -200. In my calculations of other samples, when I changed the energy levels after getting ghostbands error, the E(TOP) value also changed. Hence, I am worried if the results in this case are reliable or not? How can I be sure that there are no ghostbands now (does no error = no ghostbands?) Requesting your kind guidance on the same. 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.
FePO4.in1
Description: FePO4.in1
FePO4.scf1
Description: FePO4.scf1
FePO4.scf2
Description: FePO4.scf2
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