Dear Vishva Jeet Anand, Try with starting_magnetization(1)=1.0 With regards, Niharika Joshi, Post Doctoral Fellow, CSIR National Chemical Laboratory, Pune, India.
From: users@lists.quantum-espresso.org To: users@lists.quantum-espresso.org Sent: Friday, May 10, 2024 12:22:57 PM Subject: [QE-users] Magnetic moment Dear users I try to calculate magnetic moment for Fe(bcc) stracture, but i found 0.00 bohr mag both total and absolute. Here i attached my input file please suggest why magnetic moment is found 0.00 -- With Regards Vishva Jeet Anand Research Scholar Department of Chemistry _______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
