From BL.EN.R4ECE21001 at bl.students.amrita.edu Fri Mar 6 08:55:22 2026 From: BL.EN.R4ECE21001 at bl.students.amrita.edu (Ms. Chandrika K.) Date: Fri, 6 Mar 2026 07:55:22 +0000 Subject: [QE-users] =?utf-8?q?=C2=A0L=C3=B6wdin_charge_analysis?= Message-ID: In Quantum ESPRESSO projwfc.x L?wdin charge analysis for a heterostructure, how should the quantity TV ? TCS be interpreted in terms of charge transfer? If TV ? TCS < 0 for a layer (for example, hBN = ?0.455), does this indicate electron gain (anionic character) or electron loss / donation (cationic character)? Could someone clarify the sign convention used for the L?wdin charge analysis. Chandrika Yadav K Research Scholar NanoElectronics Laboratory Amrita Viswa Vidyapeetham Bangalore -------------- next part -------------- An HTML attachment was scrubbed... URL: