[Pw_forum] convergence of local magnetic moment

ilahi asma ilahi_asma86 at yahoo.fr
Mon Oct 31 12:12:00 CET 2016


Dear QE users, I try to calculate the local magnetic moment of LiF structure with Li vacancy, I found a value of 1.00µb but after relaxation this value augmented until 1.33µb.I can't understand the reason of this increase. can someone help me please. 
************************************************** **********
 ILAHI ASMA, Phd.student,
 UR "Physical Properties of Heterostructures ",
 Physics Department,
 Faculty of SciencesTunis,
 Campus University, 2092 Manar, Tunis, Tunisia
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